Name: Name:2H-1-Benzopyran-7-carboxylic acid, 3,4-dihydro-2,2-dimethyl-4-oxo-,ethyl ester
Brand: Angene
SKU: AG00I2UC
Rating: 90 (10 reviews)

2H-1-Benzopyran-7-carboxylic acid, 3,4-dihydro-2,2-dimethyl-4-oxo-,ethyl ester

CAS No.:

191611-56-0

Catalog Number:

AG00I2UC

Molecular Formula:

C14H16O4

Molecular Weight:

248.2744

Catalog Number:

AG00I2UC

Chemical Name:

2H-1-Benzopyran-7-carboxylic acid, 3,4-dihydro-2,2-dimethyl-4-oxo-,ethyl ester

CAS Number:

191611-56-0

Molecular Formula:

C14H16O4

Molecular Weight:

248.2744

MDL Number:

MFCD16036718

IUPAC Name:

ethyl 2,2-dimethyl-4-oxo-3H-chromene-7-carboxylate

InChI:

InChI=1S/C14H16O4/c1-4-17-13(16)9-5-6-10-11(15)8-14(2,3)18-12(10)7-9/h5-7H,4,8H2,1-3H3

InChI Key:

PPMNWWGBPDSGMA-UHFFFAOYSA-N

SMILES:

CCOC(=O)c1ccc2c(c1)OC(CC2=O)(C)C

Complexity:

348

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

248.105g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

248.278g/mol

Monoisotopic Mass:

248.105g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

52.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.2