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