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6093-73-8

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Basic Information
CAS No.: 6093-73-8
Name: 7-Propoxy-chromen-2-one ,97%
Article Data: 11
Molecular Structure:
Molecular Structure of 6093-73-8 (7-Propoxy-chromen-2-one ,97%)
Formula: C12H12O3
Molecular Weight: 204.225
Synonyms: Coumarin,7-propoxy- (7CI,8CI);7-Propoxycoumarin;7-Propoxy-chromen-2-one ,97%;
EINECS: 256-852-0
Density: 1.172 g/cm3
Boiling Point: 355.9 °C at 760 mmHg
Flash Point: 148.3 °C
Safety: 22-24/25
PSA: 39.44000
LogP: 2.58180
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Specification

The CAS register number of 2H-1-Benzopyran-2-one,7-propoxy- is 6093-73-8. It also can be called as 7-Propoxycoumarin and the IUPAC name about this chemical is 7-propoxychromen-2-one. The molecular formula about this chemical is C12H12O3 and the molecular weight is 204.22548.

Physical properties about 2H-1-Benzopyran-2-one,7-propoxy- are: (1)ACD/LogP: 2.84; (2)ACD/LogD (pH 5.5): 2.84; (3)ACD/LogD (pH 7.4): 2.84; (4)ACD/BCF (pH 5.5): 84.8; (5)ACD/BCF (pH 7.4): 84.8; (6)ACD/KOC (pH 5.5): 835.53; (7)ACD/KOC (pH 7.4): 835.53; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 35.53 Å2; (11)Index of Refraction: 1.552; (12)Molar Refractivity: 55.71 cm3; (13)Molar Volume: 174.1 cm3; (14)Polarizability: 22.08x10-24cm3; (15)Surface Tension: 42.4 dyne/cm; (16)Density: 1.172 g/cm3; (17)Flash Point: 148.3 °C; (18)Enthalpy of Vaporization: 60.1 kJ/mol; (19)Boiling Point: 355.9 °C at 760 mmHg; (20)Vapour Pressure: 3.04E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C/2Oc1cc(OCCC)ccc1\C=C\2
(2)InChI: InChI=1/C12H12O3/c1-2-7-14-10-5-3-9-4-6-12(13)15-11(9)8-10/h3-6,8H,2,7H2,1H3
(3)InChIKey: FCCCOTWGEKNZMI-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C12H12O3/c1-2-7-14-10-5-3-9-4-6-12(13)15-11(9)8-10/h3-6,8H,2,7H2,1H3
(5)Std. InChIKey: FCCCOTWGEKNZMI-UHFFFAOYSA-N