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150017-46-2 | 1H-Pyrazole-4-carboxylic acid, 1-amino-, methyl ester
CAS No: 150017-46-2 Catalog No: AG001M9G MDL No:
Product Description
Catalog Number:
AG001M9G
Chemical Name:
1H-Pyrazole-4-carboxylic acid, 1-amino-, methyl ester
CAS Number:
150017-46-2
Molecular Formula:
C5H7N3O2
Molecular Weight:
141.1280
IUPAC Name:
methyl 1-aminopyrazole-4-carboxylate
InChI:
InChI=1S/C5H7N3O2/c1-10-5(9)4-2-7-8(6)3-4/h2-3H,6H2,1H3
InChI Key:
IUJQMHXWPRMZFB-UHFFFAOYSA-N
SMILES:
COC(=O)c1cnn(c1)N
Properties
Complexity:
139
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
141.054g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
141.13g/mol
Monoisotopic Mass:
141.054g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
70.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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