3-phenylbut-2-enoic acid

3-phenylbut-2-enoic acid

CAS: 1199-20-8

Formula: C10H10O2

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

IUPAC: 3-phenylbut-2-enoic acid

InChI: InChI=1S/C10H10O2/c1-8(7-10(11)12)9-5-3-2-4-6-9/h2-7H,1H3,(H,11,12)

Composition: C (74.06%), H (6.22%), O (19.73%)

Molar Mass: 162.188

Atom Count: 22

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	162.068079562
Formal Charge	0
FSP3	0.1
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	PEXWJYDPDXUVSV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	47.34
Topological Polar Surface Area	37.3
Polarizability	17.96
Ring Count	1
Rotatable Bond Count	2

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