Name: Name:4-(5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid
Brand: Angene
SKU: AG01DWUG
Rating: 90 (10 reviews)

4-(5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid

CAS No.:

916169-50-1

Catalog Number:

AG01DWUG

Molecular Formula:

C10H8N2O3

Molecular Weight:

204.1821

Catalog Number:

AG01DWUG

Chemical Name:

4-(5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid

CAS Number:

916169-50-1

Molecular Formula:

C10H8N2O3

Molecular Weight:

204.1821

MDL Number:

MFCD20227721

IUPAC Name:

4-(5-oxo-4H-pyrazol-1-yl)benzoic acid

InChI:

InChI=1S/C10H8N2O3/c13-9-5-6-11-12(9)8-3-1-7(2-4-8)10(14)15/h1-4,6H,5H2,(H,14,15)

InChI Key:

XHOJEWODOZMYDL-UHFFFAOYSA-N

SMILES:

O=C1CC=NN1c1ccc(cc1)C(=O)O

Complexity:

306

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

204.053g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

204.185g/mol

Monoisotopic Mass:

204.053g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

70A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.5