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CAS Number: 643074-77-5
5-(carboxymethoxy)isophthalic acid

Structure

5-(carboxymethoxy)isophthalic acid
Name: 5-(carboxymethoxy)isophthalic acid
Synonyms:
General Information
Product Number: 643074775

CAS Registry Number 643074-77-5
Name:
1,​3-​Benzenedicarboxylic acid, 5-​(carboxymethoxy)​-
5-(Carboxymethoxy)isophthalic acid

 

Chemical Formula: C10H8O7
Exact Mass: 240.03
Molecular Weight: 240.17
m/z: 240.03 (100.0%), 241.03 (11.2%), 242.03 (2.0%)

 

InChI:InChI=1S/C10H8O7/c11-8(12)4-17-7-2-5(9(13)14)1-6(3-7)10(15)16/h1-3H,4H2,(H,11,12)(H,13,14)(H,15,16)

InChI Key:AQUNNWMTMHAKOK-UHFFFAOYSA-N

Canonical SMILES:C1=C(C=C(C=C1C(=O)O)OCC(=O)O)C(=O)O

Specification

98%

References
  1. (1) Cao, Xin-Yi; CrystEngComm 2004, V6, P315-317 CAPLUS
  2. (2) Leslie, Bruce W.; GB 2390539 A 2004 CAPLUS
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