CAS Registry Number:13452-14-7
Name:

2-methylbenzo[d]oxazole-6-carboxylic acid

2-methyl-1,3-benzoxazole-6-carboxylic acid

Chemical Formula: C9H7NO3
Exact Mass: 177.04
Molecular Weight: 177.16
m/z: 177.04 (100.0%), 178.05 (9.9%), 179.05 (1.1%)

InChI
InChI=1S/C9H7NO3/c1-5-10-7-3-2-6(9(11)12)4-8(7)13-5/h2-4H,1H3,(H,11,12)
InChI Key
GFYDDTFAVDJJAI-UHFFFAOYSA-N
Canonical SMILES
CC1=NC2=C(O1)C=C(C=C2)C(=O)O

Specification

98%

Bioorganic & Medicinal Chemistry (2018), 26(12), 3242-3253.

U.S. (2013), US 8350048 B2 20130108.