Name: Name:4-(2-hydroxyethyl)-1-(4-nitrophenyl)-5-oxo-2,5-dihydro-1H-pyrazole-3-carboxylic acid
Brand: Angene
SKU: AG019X5N
Rating: 90 (10 reviews)

4-(2-hydroxyethyl)-1-(4-nitrophenyl)-5-oxo-2,5-dihydro-1H-pyrazole-3-carboxylic acid

CAS No.:

1204296-97-8

Catalog Number:

AG019X5N

Molecular Formula:

C12H11N3O6

Molecular Weight:

293.2322

Catalog Number:

AG019X5N

Chemical Name:

4-(2-hydroxyethyl)-1-(4-nitrophenyl)-5-oxo-2,5-dihydro-1H-pyrazole-3-carboxylic acid

CAS Number:

1204296-97-8

Molecular Formula:

C12H11N3O6

Molecular Weight:

293.2322

MDL Number:

MFCD13196006

IUPAC Name:

4-(2-hydroxyethyl)-2-(4-nitrophenyl)-3-oxo-1H-pyrazole-5-carboxylic acid

InChI:

InChI=1S/C12H11N3O6/c16-6-5-9-10(12(18)19)13-14(11(9)17)7-1-3-8(4-2-7)15(20)21/h1-4,13,16H,5-6H2,(H,18,19)

InChI Key:

UQRZPBDHCBJTBQ-UHFFFAOYSA-N

SMILES:

OCCc1c([nH]n(c1=O)c1ccc(cc1)[N+](=O)[O-])C(=O)O

Complexity:

490

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

293.065g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

293.235g/mol

Monoisotopic Mass:

293.065g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

136A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.6