CAS Registry Number: 4442-53-9
Name:

1,4-Benzodioxan-5-carboxylic acid

2,3-dihydro-1,4-benzodioxine-5-carboxylic acid

Chemical Formula: C9H8O4
Exact Mass: 180.04
Molecular Weight: 180.16
m/z: 180.04 (100.0%), 181.05 (10.0%), 182.05 (1.3%)

InChI
InChI=1S/C9H8O4/c10-9(11)6-2-1-3-7-8(6)13-5-4-12-7/h1-3H,4-5H2,(H,10,11)
InChI Key
VCLSWKVAHAJSFL-UHFFFAOYSA-N
Canonical SMILES
C1COC2=C(C=CC=C2O1)C(=O)O

Specification

98%

Journal of Medicinal Chemistry (2018), 61(3), 918-933

Faming Zhuanli Shenqing (2017), CN 106905335 A 20170630