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| CAS No.: | 3480-87-3 |
|---|---|
| Name: | 3-HYDROXY-3-PHENYL-PROPIONIC ACID |
| Article Data: | 36 |
| Molecular Structure: | |
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| Formula: | C9H10O3 |
| Molecular Weight: | 166.177 |
| 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; |
| Density: | 1.262 g/cm3 |
| Melting Point: | 115-118℃ |
| Boiling Point: | 329.4 °C at 760 mmHg |
| Flash Point: | 167.2 °C |
| PSA: | 57.53000 |
| LogP: | 1.19470 |
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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