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CAS Number: 619-21-6
3-formylbenzoic acid

Structure

3-formylbenzoic acid
Name: 3-formylbenzoic acid
Synonyms:
General Information
Product Number: 619216

CAS Registry Number 619-21-6
Name:
Benzoic acid, 3-​formyl-
Isophthalaldehydic acid (6CI,7CI,8CI)
3-Carboxybenzaldehyde
3-Formylbenzoic acid
5-Formylbenzoic acid
m-Carboxybenzaldehyde

 

Chemical Formula: C8H6O3
Exact Mass: 150.03
Molecular Weight: 150.13
m/z: 150.03 (100.0%), 151.04 (8.8%)

 

InChI:InChI=1S/C8H6O3/c9-5-6-2-1-3-7(4-6)8(10)11/h1-5H,(H,10,11)

InChI Key:UHDNUPHSDMOGCR-UHFFFAOYSA-N

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

Specification

98%

References

(1) Harding, A. P.; Journal of Chemical Information and Modeling 2009, V49(8), P1914-1924 CAPLUS

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