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14678-93-4 | 1H-Pyrazole-4-carboxylic acid, 5-amino-1-(4-methylphenyl)-
CAS No: 14678-93-4 Catalog No: AG001EC5 MDL No:MFCD00973937
Product Description
Catalog Number:
AG001EC5
Chemical Name:
1H-Pyrazole-4-carboxylic acid, 5-amino-1-(4-methylphenyl)-
CAS Number:
14678-93-4
Molecular Formula:
C11H11N3O2
Molecular Weight:
217.2239
MDL Number:
MFCD00973937
IUPAC Name:
5-amino-1-(4-methylphenyl)pyrazole-4-carboxylic acid
InChI:
InChI=1S/C11H11N3O2/c1-7-2-4-8(5-3-7)14-10(12)9(6-13-14)11(15)16/h2-6H,12H2,1H3,(H,15,16)
InChI Key:
APMQYFHSZSHAOC-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)n1ncc(c1N)C(=O)O
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.085g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
217.228g/mol
Monoisotopic Mass:
217.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
81.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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