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17827-60-0 | 1H-Pyrazole-5-carboxylic acid, 1-methyl-, methyl ester
CAS No: 17827-60-0 Catalog No: AG0025WQ MDL No:MFCD04967357
Product Description
Catalog Number:
AG0025WQ
Chemical Name:
1H-Pyrazole-5-carboxylic acid, 1-methyl-, methyl ester
CAS Number:
17827-60-0
Molecular Formula:
C6H8N2O2
Molecular Weight:
140.1399
MDL Number:
MFCD04967357
IUPAC Name:
methyl 2-methylpyrazole-3-carboxylate
InChI:
InChI=1S/C6H8N2O2/c1-8-5(3-4-7-8)6(9)10-2/h3-4H,1-2H3
InChI Key:
CECCPWAWRYFLOA-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccnn1C
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:
0
Isotope Atom Count:
0
Molecular Weight:
140.142g/mol
Monoisotopic Mass:
140.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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