C1=CC=C(C=C1)N2C(=O)C=C(N2)C(=O)O
CAS: 49597-17-3
Name: 3-oxo-2-phenyl-1H-pyrazole-5-carboxylic acid
SMILES: C1=CC=C(C=C1)N2C(=O)C=C(N2)C(=O)O

Molecular Processing

Molecular formula
C10H8N2O3
Molecular weight
204.19
Exact mass
204.0535
XLogP
0.86
TPSA
75.09
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
15
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0
Molar refractivity
53.35

Supplementary Information

InChIKey: SIVDWYOIVRKZPG-UHFFFAOYSA-N
Synonyme
5-oxo-1-phenyl-2,5-dihydro-1H-pyrazole-3-carboxylic acid49597-17-3DTXSID20429370RefChem:304532DTXCID10380204820-265-35-hydroxy-1-phenyl-1H-pyrazole-3-carboxylic acid114138-50-03-oxo-2-phenyl-1H-pyrazole-5-carboxylic acidMFCD02929824CHEMBL5205949F2124-0635SCHEMBL951472SCHEMBL1143854SCHEMBL2464287LRSZONKWTDEUSM-UHFFFAOYSA-NSIVDWYOIVRKZPG-UHFFFAOYSA-NDTXSID601239672SMSSF-00452683-carboxy-1-phenylpyrazoline-5-oneBBL011545BDBM50592108SBB026025STK346990STL1466691-phenyl-3-carboxy-5-hydroxypyrazoleAKOS000276443AKOS002391899AT41758DA-37322
Quelle anzeigen →
An 13 Reaktionen beteiligt→

Erweiterte Suche

Teilstruktursuche→Ähnlichkeitssuche→