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30551-66-7

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Basic Information
CAS No.: 30551-66-7
Name: vinylbenzoic acid
Molecular Structure:
Molecular Structure of 30551-66-7 (vinylbenzoic acid)
Formula: C9H8O2
Molecular Weight: 148.1586
Synonyms: Benzoicacid, vinyl- (6CI,7CI);Styrenecarboxylic acid;Vinylbenzoic acid;2-vinylbenzoic acid;2-ethenylbenzoic acid;benzoic acid, 2-ethenyl-;
EINECS: 250-234-4
Density: 1.158 g/cm3
Boiling Point: 282.688 °C at 760 mmHg
Flash Point: 129.386 °C
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Specification

The Benzoic acid, ethenyl-, with the CAS registry number 30551-66-7 and EINECS registry number 250-234-4, has the systematic name of 2-vinylbenzoic acid. It is also called  2-ethenylbenzoic acid. And the molecular formula of the chemical is C9H8O2.

The characteristics of Benzoic acid, ethenyl- are as followings: (1)ACD/LogP: 1.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.15; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 5.232; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 37.3 Å2; (12)Index of Refraction: 1.606; (13)Molar Refractivity: 44.107 cm3; (14)Molar Volume: 127.911 cm3; (15)Polarizability: 17.485×10-24cm3; (16)Surface Tension: 46.695 dyne/cm; (17)Density: 1.158 g/cm3; (18)Flash Point: 129.386 °CE; (19)nthalpy of Vaporization: 55.089 kJ/mol; (20)Boiling Point: 282.688 °C at 760 mmHg; (21)Vapour Pressure: 0.002 mmHg at 25°C.     

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: C=Cc1ccccc1C(=O)O
(2)InChI: InChI=1/C9H8O2/c1-2-7-5-3-4-6-8(7)9(10)11/h2-6H,1H2,(H,10,11)
(3)InChIKey: XUDBVJCTLZTSDC-UHFFFAOYAZ