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76322-25-3

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Basic Information
CAS No.: 76322-25-3
Name: 6-Methoxy-3-chromanone
Article Data: 5
Molecular Structure:
Molecular Structure of 76322-25-3 (6-Methoxy-3-chromanone)
Formula: C10H10O3
Molecular Weight: 178.188
Synonyms: 6-Methoxy-2H-1-benzopyran-3(4H)-one;6-Methoxychroman-3-one;6-Methoxy-3-chromanone;
Density: 1.205 g/cm3
Boiling Point: 320.4 °C at 760 mmHg
Flash Point: 138.6 °C
PSA: 35.53000
LogP: 1.19920
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Specification

The CAS register number of 2H-1-Benzopyran-3(4H)-one,6-methoxy- is 76322-25-3. It also can be called as 6-Methoxy-3-chromanone and the systematic name about this chemical is 6-methoxy-2H-chromen-3(4H)-one. The molecular formula about this chemical is C10H10O3 and the molecular weight is 178.1846.

Physical properties about 2H-1-Benzopyran-3(4H)-one,6-methoxy- are: (1)ACD/LogP: 1.04; (2)ACD/LogD (pH 5.5): 1.04; (3)ACD/LogD (pH 7.4): 1.04; (4)ACD/BCF (pH 5.5): 3.6; (5)ACD/BCF (pH 7.4): 3.6; (6)ACD/KOC (pH 5.5): 87.11; (7)ACD/KOC (pH 7.4): 87.11; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 35.53 Å2; (11)Index of Refraction: 1.546; (12)Molar Refractivity: 46.84 cm3; (13)Molar Volume: 147.8 cm3; (14)Polarizability: 18.56x10-24cm3; (15)Surface Tension: 42.1 dyne/cm; (16)Density: 1.205 g/cm3; (17)Flash Point: 138.6 °C; (18)Enthalpy of Vaporization: 56.21 kJ/mol; (19)Boiling Point: 320.4 °C at 760 mmHg; (20)Vapour Pressure: 0.000318 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: COc1ccc2OCC(=O)Cc2c1
(2)InChI: InChI=1/C10H10O3/c1-12-9-2-3-10-7(5-9)4-8(11)6-13-10/h2-3,5H,4,6H2,1H3
(3)InChIKey: KUNSCSSLJIBBFD-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C10H10O3/c1-12-9-2-3-10-7(5-9)4-8(11)6-13-10/h2-3,5H,4,6H2,1H3
(5)Std. InChIKey: KUNSCSSLJIBBFD-UHFFFAOYSA-N