Name: Name:4-(1-methyl-1H-pyrazol-4-yl)-4-oxobutanoic acid
Brand: Angene
SKU: AG01BGDY
Rating: 90 (10 reviews)

4-(1-methyl-1H-pyrazol-4-yl)-4-oxobutanoic acid

CAS No.:

1152553-14-4

Catalog Number:

AG01BGDY

Molecular Formula:

C8H10N2O3

Molecular Weight:

182.1766

Catalog Number:

AG01BGDY

Chemical Name:

4-(1-methyl-1H-pyrazol-4-yl)-4-oxobutanoic acid

CAS Number:

1152553-14-4

Molecular Formula:

C8H10N2O3

Molecular Weight:

182.1766

MDL Number:

MFCD10694891

IUPAC Name:

4-(1-methylpyrazol-4-yl)-4-oxobutanoic acid

InChI:

InChI=1S/C8H10N2O3/c1-10-5-6(4-9-10)7(11)2-3-8(12)13/h4-5H,2-3H2,1H3,(H,12,13)

InChI Key:

KPVKSNIFDPDNHO-UHFFFAOYSA-N

SMILES:

OC(=O)CCC(=O)c1cnn(c1)C

Complexity:

217

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

182.069g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

182.179g/mol

Monoisotopic Mass:

182.069g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

72.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.7