CAS 87-05-8|7-ethoxy-4-methyl-2H-chromen-2-one|7-ethoxy-4-methyl-2H-chromen-2-one|7-ethoxy-4-methylchromen-2-one|7-Ethoxy-4-methyl-2-oxo-2H-chromene|7-Ethoxy-4-methylcoumarin 98%|7-Ethoxy-4-methyl-2...

General Information

Structure

Molecular Formula

C₁₂H₁₂O₃

Molecular Mass

204.22188

Exact Mass

204.07864424

Charge

InChI

InChI=1S/C12H12O3/c1-3-14-9-4-5-10-8(2)6-12(13)15-11(10)7-9/h4-7H,3H2,1-2H3

InChIKey

NKRISXMDKXBVRJ-UHFFFAOYSA-N

Canonic Smiles

CCOc1ccc2c(c1)oc(=O)cc2C

Isomeric Smiles

o1c(=O)cc(c2c1cc(cc2)OCC)C

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

2.2818909

LogD (pH = 7.4)

2.2818909

Log P

2.2818909

Molar Refractivity

57.0424

Polarizability

21.896547

Polar Surface Area

35.53

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

7-ethoxy-4-methyl-2H-chromen-2-one7-Ethoxy-4-methyl-2-oxo-2H-chromene7-Ethoxy-4-methylcoumarin 98%7-Ethoxy-4-methyl-2H-chromen-2-one4-甲基-7-乙氧基香豆素7-ETHOXY-4-METHYLCOUMARIN7-Ethoxy-4-methylcoumarin7-乙氧基-4-甲基香豆素Ethyl 4-methylumbelliferyl ether

IUPAC name

7-ethoxy-4-methyl-2H-chromen-2-one

IUPAC Traditional name

7-ethoxy-4-methylchromen-2-one

Names and Identifiers

Registration numbers

EC Number

201-721-5

CAS Number

87-05-8

MDL Number

MFCD00016971