Name: Name:2-oxo-3-(1-phenyl-1H-pyrazol-4-yl)propanoic acid
Brand: Angene
SKU: AG01B971
Rating: 90 (10 reviews)

2-oxo-3-(1-phenyl-1H-pyrazol-4-yl)propanoic acid

CAS No.:

1052567-31-3

Catalog Number:

AG01B971

Molecular Formula:

C12H10N2O3

Molecular Weight:

230.2194

Catalog Number:

AG01B971

Chemical Name:

2-oxo-3-(1-phenyl-1H-pyrazol-4-yl)propanoic acid

CAS Number:

1052567-31-3

Molecular Formula:

C12H10N2O3

Molecular Weight:

230.2194

MDL Number:

MFCD09734432

IUPAC Name:

2-oxo-3-(1-phenylpyrazol-4-yl)propanoic acid

InChI:

InChI=1S/C12H10N2O3/c15-11(12(16)17)6-9-7-13-14(8-9)10-4-2-1-3-5-10/h1-5,7-8H,6H2,(H,16,17)

InChI Key:

DRPATNHCBBZMLW-UHFFFAOYSA-N

SMILES:

O=C(C(=O)O)Cc1cnn(c1)c1ccccc1

Complexity:

300

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

230.069g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

230.223g/mol

Monoisotopic Mass:

230.069g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

72.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.2