Name: 2-ALLYL-BENZOIC ACID
SKU: 61436-73-5

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Basic Information

Molecular Structure:
CAS No.:	61436-73-5
Name:	2-ALLYL-BENZOIC ACID
Article Data:	16

Formula:	C₁₀H₁₀O₂
Molecular Weight:	162.188
Synonyms:	Benzoicacid, 2-(2-propenyl)- (9CI);2-Allylbenzoic acid;2-Prop-2-en-1-ylbenzoic acid;
Density:	1.108 g/cm³
Boiling Point:	276.8 °C at 760 mmHg
Flash Point:	129.4 °C
Risk Codes:	41
Safety:	26-39
PSA:	37.30000
LogP:	2.11330

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Specification

The Benzoicacid, 2-(2-propen-1-yl)-, with the CAS registry number 61436-73-5, is also known as 2-Allylbenzoic acid. This chemical's molecular formula is C₁₀H₁₀O₂ and molecular weight is 162.19. What's more, its systematic name is 2-Prop-2-en-1-ylbenzoic acid.

Physical properties of Benzoicacid, 2-(2-propen-1-yl)- are: (1)ACD/LogP: 2.91; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.49; (4)ACD/LogD (pH 7.4): -0.01; (5)ACD/BCF (pH 5.5): 3.62; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 34.45; (8)ACD/KOC (pH 7.4): 1.09; (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: 1.556; (14)Molar Refractivity: 47.09 cm³; (15)Molar Volume: 146.3 cm³; (16)Polarizability: 18.66×10^-24cm³; (17)Surface Tension: 42.9 dyne/cm; (18)Density: 1.108 g/cm³; (19)Flash Point: 129.4 °C; (20)Enthalpy of Vaporization: 54.43 kJ/mol; (21)Boiling Point: 276.8 °C at 760 mmHg; (22)Vapour Pressure: 0.00227 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C=CCC1=CC=CC=C1C(=O)O
(2)InChI: InChI=1S/C10H10O2/c1-2-5-8-6-3-4-7-9(8)10(11)12/h2-4,6-7H,1,5H2,(H,11,12)
(3)InChIKey: PMXHYECRRNWMIM-UHFFFAOYSA-N