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4352-89-0

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Basic Information
CAS No.: 4352-89-0
Name: 3H-naphtho(2,1-b)pyran-3-one
Article Data: 4
Molecular Structure:
Molecular Structure of 4352-89-0 (3H-naphtho(2,1-b)pyran-3-one)
Formula: C13H8O2
Molecular Weight: 196.205
Synonyms: 1-Naphthaleneacrylicacid, 2-hydroxy-, d-lactone (6CI);2-Propenoic acid, 3-(2-hydroxy-1-naphthalenyl)-, d-lactone;5,6-Benzocoumarin;Benzo[f]chromen-3-one;b-Naphthocoumarin;
Density: 1.297 g/cm3
Melting Point: 117－119oC
Boiling Point: 402.6 °C at 760 mmHg
Flash Point: 169.7 °C
PSA: 30.21000
LogP: 2.94620
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Specification

The 3H-Naphtho[2,1-b]pyran-3-one with its CAS register number is 4352-89-0. It also can be called as 2-Propenoic acid, 3-(2-hydroxy-1-naphthalenyl)-, d-lactone and the IUPAC name about this chemical is benzo[f]chromen-3-one.

Physical properties about 3H-Naphtho[2,1-b]pyran-3-one are: (1)ACD/LogP: 2.62; (2)ACD/LogD (pH 5.5): 2.62; (3)ACD/LogD (pH 7.4): 2.62; (4)ACD/BCF (pH 5.5): 57.77; (5)ACD/BCF (pH 7.4): 57.77; (6)ACD/KOC (pH 5.5): 634.83; (7)ACD/KOC (pH 7.4): 634.83; (8)#H bond acceptors: 2; (9)Polar Surface Area: 26.3Å2; (10)Index of Refraction: 1.687; (11)Molar Refractivity: 57.6 cm3; (12)Molar Volume: 151.2 cm3; (13)Polarizability: 22.83x10-24cm3; (14)Surface Tension: 54.3 dyne/cm; (15)Enthalpy of Vaporization: 65.38 kJ/mol; (16)Vapour Pressure: 1.08E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C2C(=C1)C=CC3=C2C=CC(=O)O3
(2)InChI: InChI=1S/C13H8O2/c14-13-8-6-11-10-4-2-1-3-9(10)5-7-12(11)15-13/h1-8H
(3)InChIKey: FXRDPPFLWGSMQT-UHFFFAOYSA-N