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103802-83-1

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Basic Information
CAS No.: 103802-83-1
Name: 2H-1-Benzopyran-2-one
Molecular Structure:
Molecular Structure of 103802-83-1 (2H-1-Benzopyran-2-one)
Formula: C9H6O2
Molecular Weight: 146.14
Synonyms: 2H-1-Benzopyran-2-one
EINECS: 202-086-7
Density: 1.248 g/cm3
Boiling Point: 297.999 °C at 760 mmHg
Flash Point: 118.268 °C
PSA: 30.21000
LogP: 1.79300
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Specification

The 2H-1-Benzopyran-2-one, with CAS registry number 103802-83-1, has the systematic name of 2H-chromen-2-one. Besides this, it is also called 2H-Benzo(b)pyran-2-one. And the chemical formula of this chemical is C9H6O2. And its molecular weight is 146.14.

Physical properties of 2H-1-Benzopyran-2-one: (1)ACD/LogP: 1.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.39; (4)ACD/LogD (pH 7.4): 1.39; (5)ACD/BCF (pH 5.5): 6.705; (6)ACD/BCF (pH 7.4): 6.705; (7)ACD/KOC (pH 5.5): 135.881; (8)ACD/KOC (pH 7.4): 135.881; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.595; (14)Molar Refractivity: 39.767 cm3; (15)Molar Volume: 117.097 cm3; (16)Polarizability: 15.765×10-24cm3; (17)Surface Tension: 46.411 dyne/cm; (18)Enthalpy of Vaporization: 53.789 kJ/mol; (19)Vapour Pressure: 0.001 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1ccc2c(c1)ccc(=O)o2
(2)InChI: InChI=1/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H
(3)InChIKey: ZYGHJZDHTFUPRJ-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H
(5)Std. InChIKey: ZYGHJZDHTFUPRJ-UHFFFAOYSA-N