Molecular Structure of 2H-1-Benzopyran-2-one,7-ethoxy- (CAS NO.31005-02-4):
IUPAC Name: 7-ethoxychromen-2-one
Empirical Formula: C11H10O3
Molecular Weight: 190.1953
H bond acceptors: 3
H bond donors: 0
Freely Rotating Bonds: 2
Polar Surface Area: 35.53 Å2
Index of Refraction: 1.561
Molar Refractivity: 51.07 cm3
Molar Volume: 157.6 cm3
Surface Tension: 43.3 dyne/cm
Density: 1.206 g/cm3
Flash Point: 143.1 °C
Enthalpy of Vaporization: 58.9 kJ/mol
Boiling Point: 345 °C at 760 mmHg
Vapour Pressure: 6.36E-05 mmHg at 25°C
InChI
InChI=1/C11H10O3/c1-2-13-9-5-3-8-4-6-11(12)14-10(8)7-9/h3-7H,2H2,1H3
Smiles
c12c(ccc(c1)OCC)ccc(o2)=O
Melting Point: 88-90 °C(lit.)
BRN: 146200
Product Categories of 2H-1-Benzopyran-2-one,7-ethoxy- (CAS NO.31005-02-4): Coumarin; Aromatics Compounds; Aromatics
Hazard Codes:Xi
Safety Statements:22-24/25
S22:Do not breathe dust.
S24/25:Avoid contact with skin and eyes.
WGK Germany:3
F:8
Hazard Not:Irritant
2H-1-Benzopyran-2-one,7-ethoxy- , with CAS number of 31005-02-4, can be called 7-Ethoxy-1-benzopyran-2-one ; 7-ethoxy-1-benzopyrane-2-one ; 7-ethoxycoumarin ; ethoxycoumarin, 7- ; 2h-1-benzopyran-2-one, 7-ethoxy- ; coumarin, 7-ethoxy-;ethylumbelliferone ; 7-ethoxycoumarin, 99.5% . 2H-1-Benzopyran-2-one,7-ethoxy- (CAS NO.31005-02-4) is a beige crystalline powder,can be used as a substrate for CYP2B6.
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