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4-Ethyl-7-hydroxycoumarin (64231-10-3)

Identification
Name:4-Ethyl-7-hydroxycoumarin
Synonyms:4-ethyl-7-hydroxy-chromen-2-one;
CAS:64231-10-3
Molecular Formula: C11H10O3
Molecular Weight: 0
InChI: InChI=1/C11H10O3/c1-2-7-5-11(13)14-10-6-8(12)3-4-9(7)10/h3-6,12H,2H2,1H3
Molecular Structure: (C11H10O3) 4-ethyl-7-hydroxy-chromen-2-one;
Properties
Density:1.258g/cm3
Refractive index:1.589
Specification:

The 4-Ethyl-7-hydroxycoumarin, with cas registry number 64231-10-3, has the systematic name of 4-ethyl-7-hydroxy-2H-chromen-2-one. And its IUPAC name is the same. Besides this, it is also called 2H-1-benzopyran-2-one, 4-ethyl-7-hydroxy-.

Physical properties about this chemical are: (1)ACD/LogP: 2.90; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 35.53 Å2; (7)Index of Refraction: 1.589; (8)Molar Refractivity: 50.97 cm3; (9)Molar Volume: 151 cm3; (10)Polarizability: 20.2×10-24cm3; (11)Surface Tension: 47.7 dyne/cm; (12)Enthalpy of Vaporization: 65.66 kJ/mol; (13)Vapour Pressure: 2.01E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C/2Oc1cc(O)ccc1\C(=C\2)CC
(2)InChI: InChI=1/C11H10O3/c1-2-7-5-11(13)14-10-6-8(12)3-4-9(7)10/h3-6,12H,2H2,1H3
(3)InChIKey: UNRDBISCGQHNDA-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C11H10O3/c1-2-7-5-11(13)14-10-6-8(12)3-4-9(7)10/h3-6,12H,2H2,1H3
(5)Std. InChIKey: UNRDBISCGQHNDA-UHFFFAOYSA-N

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