Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
3H-Naphtho[2,1-b]pyran-3-one |
EINECS | N/A |
CAS No. | 4352-89-0 | Density | 1.297 g/cm3 |
PSA | 30.21000 | LogP | 2.94620 |
Solubility | N/A | Melting Point |
117-119oC |
Formula | C13H8O2 | Boiling Point | 402.6 °C at 760 mmHg |
Molecular Weight | 196.205 | Flash Point | 169.7 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
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; |
Article Data | 4 |
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