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88597-27-7 | 1H-Pyrazole-4-carboxylic acid, 2,3-dihydro-1-(4-hydroxyphenyl)-3-oxo-
CAS No: 88597-27-7 Catalog No: AG004CVG MDL No:
Product Description
Catalog Number:
AG004CVG
Chemical Name:
1H-Pyrazole-4-carboxylic acid, 2,3-dihydro-1-(4-hydroxyphenyl)-3-oxo-
CAS Number:
88597-27-7
Molecular Formula:
C10H8N2O4
Molecular Weight:
220.1815
IUPAC Name:
2-(4-hydroxyphenyl)-5-oxo-1H-pyrazole-4-carboxylic acid
InChI:
InChI=1S/C10H8N2O4/c13-7-3-1-6(2-4-7)12-5-8(10(15)16)9(14)11-12/h1-5,13H,(H,11,14)(H,15,16)
InChI Key:
ABHTZTQTSIJJFI-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)n1[nH]c(=O)c(c1)C(=O)O
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.048g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
220.184g/mol
Monoisotopic Mass:
220.048g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
89.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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