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1020722-56-8 | 1H-Pyrazole-5-carboxylic acid, 1-ethyl-3-(2-methylpropyl)-, ethyl ester
CAS No: 1020722-56-8 Catalog No: AG0006JY MDL No:
Product Description
Catalog Number:
AG0006JY
Chemical Name:
1H-Pyrazole-5-carboxylic acid, 1-ethyl-3-(2-methylpropyl)-, ethyl ester
CAS Number:
1020722-56-8
Molecular Formula:
C12H20N2O2
Molecular Weight:
224.2994
IUPAC Name:
ethyl 2-ethyl-5-(2-methylpropyl)pyrazole-3-carboxylate
InChI:
InChI=1S/C12H20N2O2/c1-5-14-11(12(15)16-6-2)8-10(13-14)7-9(3)4/h8-9H,5-7H2,1-4H3
InChI Key:
PAOWHLGOIRHNRR-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(nn1CC)CC(C)C
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.152g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.304g/mol
Monoisotopic Mass:
224.152g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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