Molecular Structure of 2H-1-Benzopyran-2-one,7-methoxy-4-methyl- (CAS NO.2555-28-4):
IUPAC Name: 7-methoxy-4-methylchromen-2-one
Empirical Formula: C11H10O3
Molecular Weight: 190.1953
Melting Point: 158-160 °C(lit.)
solubility DMF: soluble
BRN: 156900
H bond acceptors: 3
H bond donors: 0
Freely Rotating Bonds: 1
Polar Surface Area: 35.53 Å2
Index of Refraction: 1.556
Molar Refractivity: 51.14 cm3
Molar Volume: 159 cm3
Surface Tension: 40.2 dyne/cm
Density: 1.195 g/cm3
Flash Point: 140.8 °C
Enthalpy of Vaporization: 58.36 kJ/mol
Boiling Point: 340.1 °C at 760 mmHg
Vapour Pressure: 8.78E-05 mmHg at 25°C
InChI
InChI=1/C11H10O3/c1-7-5-11(12)14-10-6-8(13-2)3-4-9(7)10/h3-6H,1-2H3
Smiles
COc1ccc2c(cc(=O)oc2c1)C
Product Categories of 2H-1-Benzopyran-2-one,7-methoxy-4-methyl- (CAS NO.2555-28-4): Coumarins; Coumarin; Fluorescent Labels and Indicators; Aromatics; Fluorescent Labels & Indicators
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:8-10
Hazard Note:Irritant
2H-1-Benzopyran-2-one,7-methoxy-4-methyl- , with CAS number of 2555-28-4, can be called 2(1H)-Benzopyran-2-one, 7-methoxy-4-methyl ; 2H-1-Benzopyran-2-one, 7-methoxy-4-methyl- ; 4-Methylherniarin ; 7-Methoxy-4-methyl-2H-chromen-2-one ; 7-Methoxy-4-methyl-chromen-2-one ; Coumarin, 7-methoxy-4-methyl- ; Herniarin, 4-methyl- .It is an of-wite slid.
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