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2-Hydroxy-2-naphthalen-1-yl-2-phenyl-acetic acid

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Name

2-Hydroxy-2-naphthalen-1-yl-2-phenyl-acetic acid

EINECS N/A
CAS No. 6309-40-6 Density 1.309 g/cm3
PSA 57.53000 LogP 3.16030
Solubility N/A Melting Point N/A
Formula C18H14O3 Boiling Point 500.2 °C at 760 mmHg
Molecular Weight 278.307 Flash Point 270.4 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 6309-40-6 (2-Hydroxy-2-naphthalen-1-yl-2-phenyl-acetic acid) Hazard Symbols N/A
Synonyms

2-hydroxy-2-naphthalen-1-yl-2-phenyl-acetic acid

 

2-Hydroxy-2-naphthalen-1-yl-2-phenyl-acetic acid Specification

The 2-Hydroxy-2-naphthalen-1-yl-2-phenyl-acetic acid has CAS registry number 6309-40-6. Its molecular formula is C18H14O3 and molecular weight is 278.302. What's more, its systematic name is Hydroxy(naphthalen-1-yl)phenylacetic acid.

Physical properties about the 2-Hydroxy-2-naphthalen-1-yl-2-phenyl-acetic acid are: (1)ACD/LogP: 4.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.35; (4)ACD/LogD (pH 7.4): 0.54; (5)ACD/BCF (pH 5.5): 1.27; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 6.15; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.684; (14)Molar Refractivity: 80.71 cm3; (15)Molar Volume: 212.4 cm3; (16)Surface Tension: 60.4 dyne/cm; (17)Density: 1.309 g/cm3; (18)Flash Point: 270.4 °C; (19)Enthalpy of Vaporization: 80.96 kJ/mol; (20)Boiling Point: 500.2 °C at 760 mmHg; (21)Vapour Pressure: 7.96E-11 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)C(O)(c2c1ccccc1ccc2)c3ccccc3
(2) InChI: InChI=1/C18H14O3/c19-17(20)18(21,14-9-2-1-3-10-14)16-12-6-8-13-7-4-5-11-15(13)16/h1-12,21H,(H,19,20)
(3) InChIKey: SCUTVJFQXIRWRF-UHFFFAOYAP

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