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14678-94-5 | 1H-Pyrazole-4-carboxylic acid, 5-amino-1-(2-methoxyphenyl)-
CAS No: 14678-94-5 Catalog No: AG001EC4 MDL No:
Product Description
Catalog Number:
AG001EC4
Chemical Name:
1H-Pyrazole-4-carboxylic acid, 5-amino-1-(2-methoxyphenyl)-
CAS Number:
14678-94-5
Molecular Formula:
C11H11N3O3
Molecular Weight:
233.2233
IUPAC Name:
5-amino-1-(2-methoxyphenyl)pyrazole-4-carboxylic acid
InChI:
InChI=1S/C11H11N3O3/c1-17-9-5-3-2-4-8(9)14-10(12)7(6-13-14)11(15)16/h2-6H,12H2,1H3,(H,15,16)
InChI Key:
IUVPZSGLZLPMBN-UHFFFAOYSA-N
SMILES:
COc1ccccc1n1ncc(c1N)C(=O)O
Properties
Complexity:
287
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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