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1006334-34-4 | 1H-Pyrazole-3-carboxylic acid, 4-amino-1-methyl-
CAS No: 1006334-34-4 Catalog No: AG0002IC MDL No:MFCD08558492
Product Description
Catalog Number:
AG0002IC
Chemical Name:
1H-Pyrazole-3-carboxylic acid, 4-amino-1-methyl-
CAS Number:
1006334-34-4
Molecular Formula:
C5H7N3O2
Molecular Weight:
141.1280
MDL Number:
MFCD08558492
IUPAC Name:
4-amino-1-methylpyrazole-3-carboxylic acid
InChI:
InChI=1S/C5H7N3O2/c1-8-2-3(6)4(7-8)5(9)10/h2H,6H2,1H3,(H,9,10)
InChI Key:
JGYPVAYVRHNVDI-UHFFFAOYSA-N
SMILES:
Cn1cc(c(n1)C(=O)O)N
Properties
Complexity:
150
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:
2
Isotope Atom Count:
0
Molecular Weight:
141.13g/mol
Monoisotopic Mass:
141.054g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
81.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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