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CAS Number: 52178-50-4
methyl 3-formylbenzoate

Structure

methyl 3-formylbenzoate
Name: methyl 3-formylbenzoate
Synonyms:
General Information
Product Number: 52178504

CAS Registry Number 52178-50-4
Name:
Benzoic acid, 3-​formyl-​, methyl ester
Isophthalaldehydic acid, methyl ester (6CI,7CI)
3-(Methoxycarbonyl)benzaldehyde
3-Carbomethoxybenzaldehyde
3-Formylbenzoic acid methyl ester
Methyl 3-formylbenzoate

 

Chemical Formula: C9H8O3
Exact Mass: 164.05
Molecular Weight: 164.16
m/z: 164.05 (100.0%), 165.05 (9.9%), 166.05 (1.0%)

 

InChI:InChI=1S/C9H8O3/c1-12-9(11)8-4-2-3-7(5-8)6-10/h2-6H,1H3

InChI Key:UVSBCUAQEZINCQ-UHFFFAOYSA-N

Canonical SMILES:COC(=O)C1=CC=CC(=C1)C=O

Specification

98%

References
  1. (3) Lee, Chih-hung; US 20020173665 A1 2002 CAPLUS
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