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Structure

Benzoic acid,4-ethynyl-, sodium salt (1:1)

CAS
144693-65-2
Catalog Number
ACM144693652
Category
Other Products
Molecular Weight
168.12
Molecular Formula
C9H6 O2 . Na

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Specification

Synonyms
(4-carboxyphenyl)acetylene sodium salt; 4-Ethynylbenzoic acid sodium; sodium 4-ethynylbenzoate; 4-ETHYNYLBENZOIC ACID SODIUM SALT; sodium p-ethynylbenzoate; 4-ethynylbenzoic acid sodium salt; p-Ethynylbenzoic acid sodium salt;
IUPAC Name
sodium;4-ethynylbenzoate
Canonical SMILES
C#CC1=CC=C(C=C1)C(=O)[O-].[Na+]
InChI Key
VXBLAFDQGACQAR-UHFFFAOYSA-M
Appearance
Light brown solid
Exact Mass
168.01900
Hazard Statements
Xi: Irritant;
H-Bond Acceptor
2
H-Bond Donor
0
Safety Description
S26-S36

Downstream Synthesis Route 1

  • 144693-65-2
  • 728865-23-4

Reference: [1] Bioorganic and Medicinal Chemistry Letters, 2013, vol. 23, # 8, p. 2362 - 2367

* For details of the synthesis route, please refer to the original source to ensure accuracy.

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