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25016-17-5 | 1H-Pyrazole-3-carboxylic acid, 5-methyl-, methyl ester
CAS No: 25016-17-5 Catalog No: AG002Q7H MDL No:MFCD03778987
Product Description
Catalog Number:
AG002Q7H
Chemical Name:
1H-Pyrazole-3-carboxylic acid, 5-methyl-, methyl ester
CAS Number:
25016-17-5
Molecular Formula:
C6H8N2O2
Molecular Weight:
140.1399
MDL Number:
MFCD03778987
IUPAC Name:
methyl 5-methyl-1H-pyrazole-3-carboxylate
InChI:
InChI=1S/C6H8N2O2/c1-4-3-5(8-7-4)6(9)10-2/h3H,1-2H3,(H,7,8)
InChI Key:
GFEZEVUIYRGWNU-UHFFFAOYSA-N
SMILES:
COC(=O)c1n[nH]c(c1)C
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.059g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
140.142g/mol
Monoisotopic Mass:
140.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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