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14678-95-6 | 1H-Pyrazole-4-carboxylic acid, 5-amino-1-(4-methoxyphenyl)-
CAS No: 14678-95-6 Catalog No: AG001EC3 MDL No:MFCD00973939
Product Description
Catalog Number:
AG001EC3
Chemical Name:
1H-Pyrazole-4-carboxylic acid, 5-amino-1-(4-methoxyphenyl)-
CAS Number:
14678-95-6
Molecular Formula:
C11H11N3O3
Molecular Weight:
233.2233
MDL Number:
MFCD00973939
IUPAC Name:
5-amino-1-(4-methoxyphenyl)pyrazole-4-carboxylic acid
InChI:
InChI=1S/C11H11N3O3/c1-17-8-4-2-7(3-5-8)14-10(12)9(6-13-14)11(15)16/h2-6H,12H2,1H3,(H,15,16)
InChI Key:
XOMCPZHFKFCRLB-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)n1ncc(c1N)C(=O)O
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.08g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
233.227g/mol
Monoisotopic Mass:
233.08g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
90.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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