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88428-50-6 | 1H-Pyrazole-4-carboxylic acid, 3-(acetylamino)-5-amino-, ethyl ester
CAS No: 88428-50-6 Catalog No: AG004ESF MDL No:
Product Description
Catalog Number:
AG004ESF
Chemical Name:
1H-Pyrazole-4-carboxylic acid, 3-(acetylamino)-5-amino-, ethyl ester
CAS Number:
88428-50-6
Molecular Formula:
C8H12N4O3
Molecular Weight:
212.2059
IUPAC Name:
ethyl 3-acetamido-5-amino-1H-pyrazole-4-carboxylate
InChI:
InChI=1S/C8H12N4O3/c1-3-15-8(14)5-6(9)11-12-7(5)10-4(2)13/h3H2,1-2H3,(H4,9,10,11,12,13)
InChI Key:
ONYQZWGNKPZUBC-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(N)[nH]nc1NC(=O)C
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.091g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
212.209g/mol
Monoisotopic Mass:
212.091g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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