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128537-26-8 | 1H-Pyrazole-5-carboxylic acid, 3-ethyl-1-methyl-, ethyl ester
CAS No: 128537-26-8 Catalog No: AG000Y66 MDL No:MFCD08459051
Product Description
Catalog Number:
AG000Y66
Chemical Name:
1H-Pyrazole-5-carboxylic acid, 3-ethyl-1-methyl-, ethyl ester
CAS Number:
128537-26-8
Molecular Formula:
C9H14N2O2
Molecular Weight:
182.2197
MDL Number:
MFCD08459051
IUPAC Name:
ethyl 5-ethyl-2-methylpyrazole-3-carboxylate
InChI:
InChI=1S/C9H14N2O2/c1-4-7-6-8(11(3)10-7)9(12)13-5-2/h6H,4-5H2,1-3H3
InChI Key:
LDRIQRYSIQKISI-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(nn1C)CC
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.106g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.223g/mol
Monoisotopic Mass:
182.106g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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