2-Hydroxy-3-methoxy-3,3-diphenylpropanoic acid supplier

Name
2-Hydroxy-3-methoxy-3,3-diphenylpropanoic acid
EINECS 605-820-8
CAS No. 178306-51-9
Article Data10
CAS DataBase
Density 1.249 g/cm³
Solubility
Melting Point
Formula C₁₆H₁₆O₄
Boiling Point 430.282 °C at 760 mmHg
Molecular Weight 272.301
Flash Point 158.355 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzenepropanoic acid, α-hydroxy-β-methoxy-β-phenyl-;
PSA 66.76000
LogP 2.02210

2-Hydroxy-3-methoxy-3,3-diphenylpropanoic acid Specification

The 2-Hydroxy-3-methoxy-3,3-diphenylpropanoic acid, with the CAS registry number 178306-51-9, is also known as Benzenepropanoic acid, α-hydroxy-β-methoxy-β-phenyl-. This chemical's molecular formula is C₁₆H₁₆O₄ and molecular weight is 272.30. What's more, its IUPAC name is the same with its product name.

Physical properties about 2-Hydroxy-3-methoxy-3,3-diphenylpropanoic acid are: (1)ACD/LogP: 4.1; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.36; (4)ACD/LogD (pH 7.4): 0.40; (5)ACD/BCF (pH 5.5): 1.41; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 7.40; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 66.76 Å²; (13)Index of Refraction: 1.592; (14)Molar Refractivity: 73.841 cm³; (15)Molar Volume: 218.083 cm³; (16)Polarizability: 29.273×10^-24cm³; (17)Surface Tension: 51.822 dyne/cm; (18)Density: 1.249 g/cm³; (19)Flash Point: 158.355 °C; (20)Enthalpy of Vaporization: 72.282 kJ/mol; (21)Boiling Point: 430.282 °C at 760 mmHg ; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)C(O)C(OC)(c1ccccc1)c2ccccc2
(2) InChI: InChI=1S/C16H16O4/c1-20-16(14(17)15(18)19,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11,14,17H,1H3,(H,18,19)
(3) InChIKey: RQJWOLFMWKZKCJ-UHFFFAOYSA-N

Product Name

2-Hydroxy-3-methoxy-3,3-diphenylpropanoic acid

2-Hydroxy-3-methoxy-3,3-diphenylpropanoic acid Specification

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