Product Number: 99321
CAS Registry Number: 99-32-1
Name:
4H-Pyran-2,6-dicarboxylic acid, 4-oxo-
Chelidonic acid (6CI); 2,6-Dicarboxy-4-pyrone; 4-Oxo-1,4-pyran-2,6-dicarboxylic acid; 4-Oxo-4H-pyran-2,6-dicarboxylic acid; 4-Pyranone-2,6-dicarboxylic acid; Jerva acid; Jervaic acid; Jervasic acid; NSC 3979; γ-Pyrone-2,6-dicarboxylic acid
Chemical Formula: C7H4O6
Exact Mass: 184.00
Molecular Weight: 184.10
m/z: 184.00 (100.0%), 185.00 (7.6%), 186.01 (1.5%)
Elemental Analysis: C, 45.67; H, 2.19; O, 52.14
InChI: InChI=1S/C7H4O6/c8-3-1-4(6(9)10)13-5(2-3)7(11)12/h1-2H,(H,9,10)(H,11,12)
InChIKey: PBAYDYUZOSNJGU-UHFFFAOYSA-N
Canonical SMILES : C1=C(OC(=CC1=O)C(=O)O)C(=O)O
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Thermal Properties |
Value |
Condition |
Note |
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Melting Point |
262 °C |
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(7)CAS |
|
Melting Point |
262 °C |
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(8)CAS |
|
Melting Point |
262 °C |
|
(9)SRC |
|
Melting Point |
260 °C |
|
(10)CAS |
|
Melting Point |
260 °C (decomp) |
Solv: ethanol (64-17-5) |
(11)CAS |
|
Melting Point |
258-259 °C (decomp) |
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(12)CAS |
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Melting Point |
257 °C (decomp) |
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(13)CAS |
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Melting Point |
256-257 °C |
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(6)CAS |
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(1) Carballo, Rosa; Journal of Molecular Structure 2010, V968(1-3), P81-84 CAPLUS
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(2) 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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(3) BIORAD: Copyright Bio-Rad Laboratories. All Rights Reserved.
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(4) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
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(5) BIORAD: Infrared spectral data from the Bio-Rad/Sadtler IR Data Collection was obtained from Bio-Rad Laboratories, Philadelphia, PA (US). Copyright © Bio-Rad Laboratories. All Rights Reserved.
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(6) Yin, Xianhong; Zhongguo Xitu Xuebao 2002, V20(3), P240-243 CAPLUS
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(7) Saito, Koziro; Bulletin of the Chemical Society of Japan 1940, V15, P22-7 CAPLUS
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(8) Toribio, Arturo Mosqueira; Anales real. acad. farm. 1951, V17, P343-50 CAPLUS
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(9) "PhysProp" data were obtained from Syracuse Research Corporation of Syracuse, New York (US)
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(10) Garkusha, G. A.; Zhurnal Organicheskoi Khimii 1967, V3(9), P1699-702 CAPLUS
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(11) Taniyama, Hyozo; Yakugaku Zasshi 1961, V81, P1493-6 CAPLUS
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(12) Cornubert, R.; Bulletin de la Societe Chimique de France 1933, V53, P565-9 CAPLUS
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(13) Ichimoto, Itsno; Bulletin of the University of Osaka Prefecture, Series B: Agriculture and Life Sciences 1965, V16, P105-12 CAPLUS
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