Name: Name:1H-Pyrazole-4-carboxylic acid, 1-acetyl-2,3-dihydro-3-oxo-, ethyl ester
Brand: Angene
SKU: AG00I8Q4
Rating: 90 (10 reviews)

1H-Pyrazole-4-carboxylic acid, 1-acetyl-2,3-dihydro-3-oxo-, ethyl ester

CAS No.:

478968-45-5

Catalog Number:

AG00I8Q4

Molecular Formula:

C8H10N2O4

Molecular Weight:

198.1760

Catalog Number:

AG00I8Q4

Chemical Name:

1H-Pyrazole-4-carboxylic acid, 1-acetyl-2,3-dihydro-3-oxo-, ethyl ester

CAS Number:

478968-45-5

Molecular Formula:

C8H10N2O4

Molecular Weight:

198.1760

MDL Number:

MFCD13689094

IUPAC Name:

ethyl 2-acetyl-5-oxo-1H-pyrazole-4-carboxylate

InChI:

InChI=1S/C8H10N2O4/c1-3-14-8(13)6-4-10(5(2)11)9-7(6)12/h4H,3H2,1-2H3,(H,9,12)

InChI Key:

WKNBDPJTYUZMKD-UHFFFAOYSA-N

SMILES:

CCOC(=O)c1cn(nc1O)C(=O)C

Complexity:

321

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

198.064g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

198.178g/mol

Monoisotopic Mass:

198.064g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

75.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.5