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CAS Number: 63435-16-5
methyl 4-amino-3-hydroxybenzoate

Structure

 methyl 4-amino-3-hydroxybenzoate
Name: methyl 4-amino-3-hydroxybenzoate
Synonyms:
General Information
Product Number: 63435165
CAS Registry Number: 63435-16-5
Name:
Benzoic acid, 4-​amino-​3-​hydroxy-​, methyl ester
2-​Hydroxy-​4-​methoxycarbonylanili​ne; 4-​Amino-​3-​hydroxybenzoic acid methyl ester; Methyl 3-​hydroxy-​4-​aminobenzoate; Methyl 4-​amino-​3-​hydroxybenzenecarbox​ylate; Methyl 4-​amino-​3-​hydroxybenzoate 
 
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/c1-12-8(11)5-2-3-6(9)7(10)4-5/h2-4,10H,9H2,1H3
InChIKey: OCZXDVNSNDITBS-UHFFFAOYSA-N
Canonical SMILES : COC(=O)C1=CC(=C(C=C1)N)O
 
Thermal Properties Value Condition Note
Melting Point 119-120 °C   (3)CAS
Melting Point 116-117 °C   (2)CAS

Specification

98%
References
  1. (1) Rodriguez, Johanna M.; ChemBioChem 2009, V10(5), P829-833 CAPLUS
  2. (2) Sellarajah, Shane; Journal of Medicinal Chemistry 2004, V47(22), P5515-5534 CAPLUS
  3. (3) Boyland, E.; Journal of the Chemical Society 1954, P980-5 CAPLUS
  4. (4) ACD: Spectral data were obtained from Advanced Chemistry Development, Inc.
  5. (5) Curley, Robert W., Jr.; WO 2003003987 A2 2003 CAPLUS
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