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(4R)-6-Methyl-4-phenylchroman-2-one

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Name

(4R)-6-Methyl-4-phenylchroman-2-one

EINECS N/A
CAS No. 827007-19-2 Density 1.166g/cm3
PSA 26.30000 LogP 3.43600
Solubility N/A Melting Point N/A
Formula C16H14O2 Boiling Point 351.1 °C at 760 mmHg
Molecular Weight 238.286 Flash Point 146.3 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 827007-19-2 ((4R)-6-Methyl-4-phenylchroman-2-one) Hazard Symbols N/A
Synonyms

(4R)-6-Methyl-4-phenylchroman-2-one;(4R)-3,4-Dihydro-6-methyl-4-phenyl-2H-1-benzopyran-2-one

Article Data 20

(4R)-6-Methyl-4-phenylchroman-2-one Specification

The (4R)-6-Methyl-4-phenylchroman-2-one, with CAS registry number 827007-19-2, has the systematic name of (4R)-6-methyl-4-phenyl-3,4-dihydro-2H-chromen-2-one. Besides this, it is also called 2H-1-benzopyran-2-one, 3,4-dihydro-6-methyl-4-phenyl-, (4R)-. And the chemical formula of this chemical is C16H14O2.

Physical properties of (4R)-6-Methyl-4-phenylchroman-2-one: (1)ACD/LogP: 3.64; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 26.3 Å2; (7)Index of Refraction: 1.595; (8)Molar Refractivity: 69.43 cm3; (9)Molar Volume: 204.2 cm3; (10)Polarizability: 27.52×10-24cm3; (11)Surface Tension: 44.6 dyne/cm; (12)Enthalpy of Vaporization: 59.58 kJ/mol; (13)Vapour Pressure: 4.2E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C3Oc1ccc(cc1[C@@H](c2ccccc2)C3)C
(2)InChI: InChI=1/C16H14O2/c1-11-7-8-15-14(9-11)13(10-16(17)18-15)12-5-3-2-4-6-12/h2-9,13H,10H2,1H3/t13-/m1/s1
(3)InChIKey: SUHIZPDCJOQZLN-CYBMUJFWBB
(4)Std. InChI: InChI=1S/C16H14O2/c1-11-7-8-15-14(9-11)13(10-16(17)18-15)12-5-3-2-4-6-12/h2-9,13H,10H2,1H3/t13-/m1/s1
(5)Std. InChIKey: SUHIZPDCJOQZLN-CYBMUJFWSA-N

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