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1214-20-6

Basic Information
CAS No.: 1214-20-6
Name: 2-METHOXYXANTHEN-9-ONE
Article Data: 1
Molecular Structure:
Molecular Structure of 1214-20-6 (2-METHOXYXANTHEN-9-ONE)
Formula: C14H10O3
Molecular Weight: 226.232
Synonyms: Xanthen-9-one,2-methoxy- (6CI,7CI,8CI);2-Methoxy-9H-xanthene-9-one;2-Methoxyxanthenone;2-Methoxyxanthone;
Density: 1.273 g/cm3
Boiling Point: 388.2 °C at 760 mmHg
Flash Point: 180.1 °C
Hazard Symbols: Xn
Risk Codes: 22
PSA: 39.44000
LogP: 2.95480
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Specification

The 9H-Xanthen-9-one,2-methoxy- is an organic compound with the formula C14H10O3. The IUPAC name of this chemical is 2-methoxyxanthen-9-one. With the CAS registry number 1214-20-6, it is also named as Xanthen-9-one, 2-methoxy-. The product's categories is Pharmacetical.

Physical properties about 9H-Xanthen-9-one,2-methoxy- are: (1)ACD/LogP: 3.31; (2)ACD/LogD (pH 5.5): 3.31; (3)ACD/LogD (pH 7.4): 3.31; (4)ACD/BCF (pH 5.5): 192.66; (5)ACD/BCF (pH 7.4): 192.66; (6)ACD/KOC (pH 5.5): 1503.36; (7)ACD/KOC (pH 7.4): 1503.36; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 35.53 Å2; (11)Index of Refraction: 1.617; (12)Molar Refractivity: 62.2 cm3; (13)Molar Volume: 177.6 cm3; (14)Polarizability: 24.66×10-24cm3; (15)Surface Tension: 48.4 dyne/cm; (16)Density: 1.273 g/cm3; (17)Flash Point: 180.1 °C; (18)Enthalpy of Vaporization: 63.74 kJ/mol; (19)Boiling Point: 388.2 °C at 760 mmHg; (20)Vapour Pressure: 3.12E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1c3c(Oc2c1cc(OC)cc2)cccc3
(2)InChI: InChI=1/C14H10O3/c1-16-9-6-7-13-11(8-9)14(15)10-4-2-3-5-12(10)17-13/h2-8H,1H3
(3)InChIKey: DVZCOQQFPCMIPO-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C14H10O3/c1-16-9-6-7-13-11(8-9)14(15)10-4-2-3-5-12(10)17-13/h2-8H,1H3
(5)Std. InChIKey: DVZCOQQFPCMIPO-UHFFFAOYSA-N