Product Number: 3177808
CAS Registry Number: 3177-80-8
Name:
Benzoic acid, 2-amino-3-methoxy-
m-Anisic acid, 2-amino- (6CI,7CI,8CI); 2-Amino-3-(methyloxy)benzoic acid; 2-Amino-3-methoxybenzoic acid; 3-Methoxy-2-aminobenzoic acid; 3-Methoxyanthranilic acid; NSC 81443
Chemical Formula: C8H9NO3
Exact Mass: 167.06
Molecular Weight: 167.16
m/z: 167.06 (100.0%), 168.06 (9.2%)
Elemental Analysis: C, 57.48; H, 5.43; N, 8.38; O, 28.71
InChI: InChI=1S/C8H9NO3/c1-12-6-4-2-3-5(7(6)9)8(10)11/h2-4H,9H2,1H3,(H,10,11)
InChIKey: SXOPCLUOUFQBJV-UHFFFAOYSA-N
Canonical SMILES : COC1=CC=CC(=C1N)C(=O)O
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Thermal Properties |
Value |
Condition |
Note |
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Enthalpy |
See full text |
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(3)CAS |
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Formation Enthalpy |
See full text |
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(3)CAS |
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Melting Point |
175-176 °C |
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(5)IC |
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Melting Point |
173-174 °C |
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(7)CAS |
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Melting Point |
170-171 °C |
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(8)CAS |
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Melting Point |
170-171 °C |
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(9)CAS |
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Melting Point |
169-170 °C |
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(10)CAS |
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Melting Point |
169-170 °C |
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(11)CAS |
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Melting Point |
169 °C |
Solv: methanol (67-56-1); water (7732-18-5) |
(12)IC |
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Melting Point |
165-166.5 °C |
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(13)IC |
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Melting Point |
162-163 °C |
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(14)CASom |
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(1) AIST: Integrated Spectral Database System of Organic Compounds. (Data were obtained from the National Institute of Advanced Industrial Science and Technology (Japan))
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(2) WSS: Wolfgang Robien / University of Vienna (Spectral Data were obtained from Wiley Subscription Services, Inc. (US))
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(3) Almeida, Ana R. R. P.; Journal of Physical Chemistry B 2010, V114(35), P11570-11575 CAPLUS
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(4) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
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(5) Tsunakawa, Mitsuaki; Journal of Antibiotics 1988, V41(10), P1366-73 CAPLUS
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(6) Giaginis, Costas; Journal of Chromatography A 2007, V1166(1-2), P116-125 CAPLUS
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(7) Nagasaka, Tatsuo; Journal of Organic Chemistry 1998, V63(20), P6797-6801 CAPLUS
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(8) Froelicher, Victor; Journal of the Chemical Society, Transactions 1921, V119, P1425-32 CAPLUS
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(9) Nyc, Joseph F.; Journal of the American Chemical Society 1948, V70, P1847-8 CAPLUS
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(10) Pschorr, R.; Annalen der Chemie, Justus Liebigs 1912, V391, P23-39 CAPLUS
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(11) Warnell, J. L.; Biochemical Preparations 1958, V6, P20-4 CAPLUS
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(12) Mori, Shigehiro; Tetrahedron 1991, V47(27), P5051-70 CAPLUS
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(13) Macdonald, Simon J. F.; Journal of the Chemical Society, Chemical Communications 1987, (20), P1528-30 CAPLUS
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(14) Yunusov, S. Yu.; Doklady Akademii Nauk UzSSR 1953, (No. 12), P22-4 CAPLUS
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