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25016-20-0 | 1H-Pyrazole-3-carboxylic acid, 1-methyl-
CAS No: 25016-20-0 Catalog No: AG002Q7F MDL No:MFCD00464254
Product Description
Catalog Number:
AG002Q7F
Chemical Name:
1H-Pyrazole-3-carboxylic acid, 1-methyl-
CAS Number:
25016-20-0
Molecular Formula:
C5H6N2O2
Molecular Weight:
126.1133
MDL Number:
MFCD00464254
IUPAC Name:
1-methylpyrazole-3-carboxylic acid
InChI:
InChI=1S/C5H6N2O2/c1-7-3-2-4(6-7)5(8)9/h2-3H,1H3,(H,8,9)
InChI Key:
YBFIKNNFQIBIQZ-UHFFFAOYSA-N
SMILES:
Cn1ccc(n1)C(=O)O
Properties
Complexity:
126
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.043g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
126.115g/mol
Monoisotopic Mass:
126.043g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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