3-Hydroxy-3-phenylpropanoic acid supplier

Name
3-HYDROXY-3-PHENYL-PROPIONIC ACID
EINECS
CAS No. 3480-87-3
Article Data36
CAS DataBase
Density 1.262 g/cm³
Solubility
Melting Point 115-118℃
Formula C₉H₁₀O₃
Boiling Point 329.4 °C at 760 mmHg
Molecular Weight 166.177
Flash Point 167.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Hydracrylicacid, 3-phenyl- (6CI,7CI,8CI);3-Hydroxy-3-phenylpropanoic acid;3-Hydroxy-3-phenylpropionic acid;NSC 120422;NSC 16256;Benzenepropanoic acid, β-hydroxy-;β-Phenylhydracrylic acid;
PSA 57.53000
LogP 1.19470

3-Hydroxy-3-phenylpropanoic acid Specification

The beta-Hydroxyphenylpropionic acid, with the CAS registry number 3480-87-3, is also known as 3-Hydroxy-3-phenylpropionic acid. This chemical's molecular formula is C₉H₁₀O₃ and molecular weight is 160.17. What's more, its systematic name is 3-hydroxy-3-phenylpropanoic acid.

Physical properties of beta-Hydroxyphenylpropionic acid are: (1)ACD/LogP: 0.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.07; (4)ACD/LogD (pH 7.4): -2.84; (5)ACD/BCF (pH 5.5): 1; (6)ACD/KOC (pH 5.5): 1.49; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 35.53 Å²; (12)Index of Refraction: 1.575; (13)Molar Refractivity: 43.53 cm³; (14)Molar Volume: 131.6 cm³; (15)Surface Tension: 56.4 dyne/cm; (16)Density: 1.262 g/cm³; (17)Flash Point: 167.2 °C; (18)Enthalpy of Vaporization: 60.37 kJ/mol; (19)Boiling Point: 329.4 °C at 760 mmHg; (20)Vapour Pressure: 7.14E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)C(CC(=O)O)O
(2)InChI: InChI=1S/C9H10O3/c10-8(6-9(11)12)7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12)
(3)InChIKey: AYOLELPCNDVZKZ-UHFFFAOYSA-N

Product Name

3-HYDROXY-3-PHENYL-PROPIONIC ACID

3-Hydroxy-3-phenylpropanoic acid Specification

Related Products

Hot Products