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CAS Number: 10601-99-7
3-ethynylbenzoic acid

Structure

3-ethynylbenzoic acid
Name: 3-ethynylbenzoic acid
Synonyms:
General Information
Product Number: 10601997

CAS Registry Number 10601-99-7
Name:
Benzoic acid, 3-​ethynyl-
Benzoic acid, m-ethynyl- (7CI,8CI)
3-Ethynylbenzoic acid
m-Ethynylbenzoic acid

 

Chemical Formula: C9H6O2
Exact Mass: 146.04
Molecular Weight: 146.14
m/z: 146.04 (100.0%), 147.04 (9.9%)

 

InChI:InChI=1S/C9H6O2/c1-2-7-4-3-5-8(6-7)9(10)11/h1,3-6H,(H,10,11)

InChI Key:PHPIMLZTBYCDSX-UHFFFAOYSA-N

Canonical SMILES:C#CC1=CC(=CC=C1)C(=O)O

Specification

98%

References
  1. (1) Levell, Julian; Bioorganic & Medicinal Chemistry 2005, V13(8), P2859-2872 CAPLUS
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