CAS Registry Number: 2169-28-0

Name:

Benzoic acid, 3-​hydroxy-​2-​methoxy-
o-​Anisic acid, 3-​hydroxy- (7CI,​8CI); 3-​Hydroxy-​2-​methoxybenzoic acid 

Chemical Formula: C8H8O4
Exact Mass: 168.04
Molecular Weight: 168.15
m/z: 168.04 (100.0%), 169.05 (8.9%), 170.05 (1.2%)
Elemental Analysis: C, 57.14; H, 4.80; O, 38.06

InChI: InChI=1S/C8H8O4/c1-12-7-5(8(10)11)3-2-4-6(7)9/h2-4,9H,1H3,(H,10,11)
InChIKey: DSMHCSBCMFQGAZ-UHFFFAOYSA-N
Canonical SMILES : COC1=C(C=CC=C1O)C(=O)O

Specification

98%

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3. (3) Telang, S. A.; Journal of Organic Chemistry 1965, V30(3), P752-4 CAPLUS
4. (4) Santucci, Ludovico; Journal of the American Chemical Society 1958, V80, P4537-9 CAPLUS