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117860-54-5 | 1H-Pyrazole-5-carboxylic acid, 3-amino-1-methyl-
CAS No: 117860-54-5 Catalog No: AG000HXW MDL No:MFCD06805281
Product Description
Catalog Number:
AG000HXW
Chemical Name:
1H-Pyrazole-5-carboxylic acid, 3-amino-1-methyl-
CAS Number:
117860-54-5
Molecular Formula:
C5H7N3O2
Molecular Weight:
141.1280
MDL Number:
MFCD06805281
IUPAC Name:
5-amino-2-methylpyrazole-3-carboxylic acid
InChI:
InChI=1S/C5H7N3O2/c1-8-3(5(9)10)2-4(6)7-8/h2H,1H3,(H2,6,7)(H,9,10)
InChI Key:
UYTYLLQCQDBCDW-UHFFFAOYSA-N
SMILES:
Cn1nc(cc1C(=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:
-0.3
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