Benzoic acid, 2-(2-phenylethenyl)-, (Z)- (9CI) supplier

Name
2-[(Z)-2-phenylethenyl]benzoic acid
EINECS
CAS No. 66374-10-5
Article Data14
CAS DataBase
Density 1.211 g/cm³
Solubility
Melting Point
Formula C₁₅H₁₂O₂
Boiling Point 397.2 °C at 760 mmHg
Molecular Weight 224.259
Flash Point 182.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-[(Z)-2-Phenylethenyl]benzoic acid;NSC10208;
PSA
LogP

Benzoic acid, 2-(2-phenylethenyl)-, (Z)- (9CI) Specification

The Benzoic acid, 2-(2-phenylethenyl)-, (Z)- (9CI) has the CAS registry number 66374-10-5. This chemical's molecular formula is C₁₅H₁₂O₂ and molecular weight is 224.25. What's more, its IUPAC name is 2-[(Z)-2-phenylethenyl]benzoic acid.

Physical properties of Benzoic acid, 2-(2-phenylethenyl)-, (Z)- (9CI) are: (1)ACD/LogP: 4.51; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.95; (4)ACD/LogD (pH 7.4): 1.53; (5)ACD/BCF (pH 5.5): 43.1; (6)ACD/BCF (pH 7.4): 1.66; (7)ACD/KOC (pH 5.5): 185.15; (8)ACD/KOC (pH 7.4): 7.12; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.687; (14)Molar Refractivity: 70.57 cm³; (15)Molar Volume: 185.1 cm³; (16)Polarizability: 27.97×10^-24cm³; (17)Surface Tension: 54.9 dyne/cm; (18)Density: 1.211 g/cm³; (19)Flash Point: 182.6 °C; (20)Enthalpy of Vaporization: 68.3 kJ/mol; (21)Boiling Point: 397.2 °C at 760 mmHg; (22)Vapour Pressure: 5.06E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)C=CC2=CC=CC=C2C(=O)O
(2)Isomeric SMILES: C1=CC=C(C=C1)/C=C\C2=CC=CC=C2C(=O)O
(3)InChI: InChI=1S/C15H12O2/c16-15(17)14-9-5-4-8-13(14)11-10-12-6-2-1-3-7-12/h1-11H,(H,16,17)/b11-10-
(4)InChIKey: MGJDPQKVELOHMT-KHPPLWFESA-N

Product Name

2-[(Z)-2-phenylethenyl]benzoic acid

Benzoic acid, 2-(2-phenylethenyl)-, (Z)- (9CI) Specification

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