CAS No.103187-18-4,ALPHA-HYDROXY BENZENEHEPTANOIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	103187-18-4
Name:	ALPHA-HYDROXY BENZENEHEPTANOIC ACID
Article Data:	3

Formula:	C₁₃H₁₈O₃
Molecular Weight:	222.284
Synonyms:	7-Hydroxy-7-phenylheptanoicacid;Alpha-hydroxy benzeneheptanoic acid;Benzeneheptanoic acid, a-hydroxy-;
Density:	1.124 g/cm³
Boiling Point:	404.1 °C at 760 mmHg
Flash Point:	212.3 °C
PSA:	57.53000
LogP:	2.23500

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Specification

The CAS register number of Alpha-hydroxy Benzeneheptanoic Acid is 103187-18-4. It also can be called as Alpha-hydroxy benzeneheptanoic acid and the systematic name about this chemical is 7-hydroxy-7-phenylheptanoic acid. The molecular formula about this chemical is C₁₃H₁₈O₃ and the molecular weight is 222.28.

Physical properties about Alpha-hydroxy Benzeneheptanoic Acid are: (1)ACD/LogP: 1.94; (2)ACD/LogD (pH 5.5): 1.13; (3)ACD/LogD (pH 7.4):; (4)ACD/BCF (pH 5.5): 2.7; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 41.78; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 8; (11)Polar Surface Area: 57.53 Å²; (12)Index of Refraction: 1.54; (13)Molar Refractivity: 62.06 cm³; (14)Molar Volume: 197.6 cm³; (15)Polarizability: 24.6x10^-24cm³; (16)Surface Tension: 47.8 dyne/cm; (17)Density: 1.124 g/cm³; (18)Flash Point: 212.3 °C; (19)Enthalpy of Vaporization: 69.12 kJ/mol; (20)Boiling Point: 404.1 °C at 760 mmHg; (21)Vapour Pressure: 2.97E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: OC(CCCCCC(O)=O)c1ccccc1
(2)InChI: InChI=1/C13H18O3/c14-12(11-7-3-1-4-8-11)9-5-2-6-10-13(15)16/h1,3-4,7-8,12,14H,2,5-6,9-10H2,(H,15,16) (3)InChIKey: GIPXRSLMPOWIDN-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C13H18O3/c14-12(11-7-3-1-4-8-11)9-5-2-6-10-13(15)16/h1,3-4,7-8,12,14H,2,5-6,9-10H2,(H,15,16)
(5)Std. InChIKey: GIPXRSLMPOWIDN-UHFFFAOYSA-N