Name: Name:2H-Pyran-2-carboxylic acid, 3,4-dihydro-2-methyl-4-oxo-, ethyl ester
Brand: Angene
SKU: AG0081KU
Rating: 90 (10 reviews)

2H-Pyran-2-carboxylic acid, 3,4-dihydro-2-methyl-4-oxo-, ethyl ester

CAS No.:

113122-96-6

Catalog Number:

AG0081KU

Molecular Formula:

C9H12O4

Molecular Weight:

184.1892

Catalog Number:

AG0081KU

Chemical Name:

2H-Pyran-2-carboxylic acid, 3,4-dihydro-2-methyl-4-oxo-, ethyl ester

CAS Number:

113122-96-6

Molecular Formula:

C9H12O4

Molecular Weight:

184.1892

MDL Number:

MFCD30749899

IUPAC Name:

ethyl 2-methyl-4-oxo-3H-pyran-2-carboxylate

InChI:

InChI=1S/C9H12O4/c1-3-12-8(11)9(2)6-7(10)4-5-13-9/h4-5H,3,6H2,1-2H3

InChI Key:

NHLRCCGSQOIUOW-UHFFFAOYSA-N

SMILES:

CC1(CC(=O)C=CO1)C(=O)OCC

Complexity:

256

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

184.074g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

184.191g/mol

Monoisotopic Mass:

184.074g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

52.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.5