CAS Registry Number: 16984-81-9

Name:

1H-​2-​Benzopyran-​4-​carboxylic acid, 3-​methyl-​1-​oxo-
4-​Carboxy-​3-​methylisocoumarin 

Chemical Formula: C11H8O4
Exact Mass: 204.04
Molecular Weight: 204.18
m/z: 204.04 (100.0%), 205.05 (12.1%), 206.05 (1.5%)

InChI: InChI=1S/C11H8O4/c1-6-9(10(12)13)7-4-2-3-5-8(7)11(14)15-6/h2-5H,1H3,(H,12,13)
InChIKey: QSZOBUZRHRZWBB-UHFFFAOYSA-N
Canonical SMILES : CC1=C(C2=CC=CC=C2C(=O)O1)C(=O)O

Specification

98%

1. (1) Tirodkar, R. B.; Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry 1976, V14B(9), P678-81 CAPLUS