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p-Vinylbenzoic acid

Catalog Number
ACM1075496-4
Product Name
p-Vinylbenzoic acid
Structure
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CAS
1075-49-6
  • Product Overview
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Synonyms
4-vinyl benzoic acid; ANW-41361; GEO-03384; CTK0I1773; AM20020177; Benzoic acid, 4-ethenyl-; X8847; RW2343; MFCD00002569 (95%); DB-040767;
IUPAC Name
4-ethenylbenzoic acid;
Molecular Weight
148.161g/mol
Molecular Formula
C9H8O2;
Canonical SMILES
C=CC1=CC=C(C=C1)C(=O)O;
InChI
InChI=1S/C9H8O2/c1-2-7-3-5-8(6-4-7)9(10)11/h2-6H,1H2,(H,10,11);
InChI Key
IRQWEODKXLDORP-UHFFFAOYSA-N;
Melting Point
143.5°C;
Complexity
155
Covalently-Bonded Unit Count
1
EC Number
214-053-4
Exact Mass
148.052g/mol
H-Bond Acceptor
2
H-Bond Donor
1
Heavy Atom Count
11
Monoisotopic Mass
148.052g/mol
NSC Number
176003
Rotatable Bond Count
2
Topological Polar Surface Area
37.3A^2
UNII
TBU4QT9N3K
Application
p-Vinylbenzoic acid is an off-white solid that serves as a metabolite of 1,4-diethenylbenzene. This compound plays a crucial role as a raw material and intermediate in various applications, including organic synthesis, the production of pharmaceuticals, and the development of agrochemicals.
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