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68047-36-9

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Basic Information
CAS No.: 68047-36-9
Name: 2H-1-Benzopyran-2-one, 6-amino-7-hydroxy-4-methyl-
Article Data: 9
Molecular Structure:
Molecular Structure of 68047-36-9 (2H-1-Benzopyran-2-one, 6-amino-7-hydroxy-4-methyl-)
Formula: C10H9NO3
Molecular Weight: 191.186
Synonyms: 6-Amino-7-hydroxy-4-methyl-2H-chromen-2-one;
Density: 1.407 g/cm3
Boiling Point: 431.8 °C at 760 mmHg
Flash Point: 214.9 °C
PSA: 76.46000
LogP: 1.97040
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Specification

The 6-Amino-7-hydroxy-4-methyl-2H-chromen-2-one, with the CAS registry number 68047-36-9, is also known as 2H-1-Benzopyran-2-one, 6-amino-7-hydroxy-4-methyl-. This chemical's molecular formula is C10H9NO3 and molecular weight is 191.1834. Its IUPAC name is called 6-amino-7-hydroxy-4-methyl-2H-chromen-2-one.

Physical properties of 6-Amino-7-hydroxy-4-methyl-2H-chromen-2-one: (1)ACD/LogP: 1.02; (2)ACD/LogD (pH 5.5): 1.01; (3)ACD/LogD (pH 7.4): 0.89; (4)ACD/BCF (pH 5.5): 3.44; (5)ACD/BCF (pH 7.4): 2.58; (6)ACD/KOC (pH 5.5): 83.78; (7)ACD/KOC (pH 7.4): 62.79; (8)#H bond acceptors: 4; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.667; (12)Molar Refractivity: 50.58 cm3; (13)Molar Volume: 135.7 cm3; (14)Surface Tension: 64.7 dyne/cm; (15)Density: 1.407 g/cm3; (16)Flash Point: 214.9 °C; (17)Enthalpy of Vaporization: 71.4 kJ/mol; (18)Boiling Point: 431.8 °C at 760 mmHg; (19)Vapour Pressure: 4.62E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Nc1cc2c(cc1O)OC(=O)/C=C2/C
(2)InChI: InChI=1/C10H9NO3/c1-5-2-10(13)14-9-4-8(12)7(11)3-6(5)9/h2-4,12H,11H2,1H3
(3)InChIKey: WDLJTLKIEHIDHO-UHFFFAOYAZ