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Name |
4-Ethyl-7-hydroxycoumarin |
EINECS | N/A |
CAS No. | 64231-10-3 | Density | 1.258g/cm3 |
PSA | 50.44000 | LogP | 2.06100 |
Solubility | N/A | Melting Point |
N/A |
Formula | C11H10O3 | Boiling Point | 383.3 °C at 760 mmHg |
Molecular Weight | 190.19 | Flash Point | 173.5 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
4-ethyl-7-hydroxy-chromen-2-one; |
Article Data | 14 |
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