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CAS No.: | 5219-17-0 |
---|---|
Name: | 4-ETHYL-7-HYDROXY-3-(P-METHOXYPHENYL)-DIHYDRO-1-BENZOPYRAN-2-ONE |
Molecular Structure: | |
Formula: | C18H16 O4 |
Molecular Weight: | 296.323 |
Synonyms: | Coumarin,4-ethyl-7-hydroxy-3-(p-methoxyphenyl)- (7CI,8CI);3-(p-Methoxyphenyl)-4-ethyl-7-hydroxycoumarin;4-Ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin; NSC 82441; SC 7801 |
Density: | 1.248g/cm3 |
Boiling Point: | 508°Cat760mmHg |
Flash Point: | 188.2°C |
Hazard Symbols: | A reproductive hazard. |
Safety: | Experimental reproductive effects. When heated to decomposition it emits acrid smoke and irritating vapors. |
PSA: | 59.67000 |
LogP: | 3.73660 |
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Product Name: 4-Ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin (CAS NO.5219-17-0)
Molecular Formula: C18H16O4
Molecular Weight: 296.34g/mol
Mol File: 5219-17-0.mol
Boiling point: 508 °C at 760 mmHg
Flash Point: 188.2 °C
Density: 1.248 g/cm3
Surface Tension: 48.4 dyne/cm
Enthalpy of Vaporization: 80.76 kJ/mol
Vapour Pressure: 6.1E-11 mmHg at 25°C
XLogP3-AA: 3.5
H-Bond Donor: 1
H-Bond Acceptor: 4
Structure Descriptors of 4-Ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin (CAS NO.5219-17-0):
IUPAC Name: 4-Ethyl-7-hydroxy-3-(4-methoxyphenyl)chromen-2-one
Canonical SMILES: CCC1=C(C(=O)OC2=C1C=CC(=C2)O)C3=CC=C(C=C3)OC
InChI: InChI=1S/C18H16O4/c1-3-14-15-9-6-12(19)10-16(15)22-18(20)17(14)11-4-7-13(21-2)8-5-11/h4-10,19H,3H2,1-2H3
InChIKey: OFVOGSOIXOYRRC-UHFFFAOYSA-N
Experimental reproductive effects. When heated to decomposition it emits acrid smoke and irritating vapors.
4-Ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin , its CAS NO. is 5219-17-0, the synonyms are 4-18-00-01864 (Beilstein Handbook Reference) ; BRN 0272991 ; NSC 82441 ; SC 7801 ; 2H-1-Benzopyran-2-one, 4-ethyl-7-hydroxy-3-(4-
methoxyphenyl)- (9CI) ; Coumarin, 4-ethyl-7-hydroxy-3-(p-methoxyphenyl)- .