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139756-15-3 | 1H-Pyrazole-5-carboxylic acid, 1-ethyl-3-propyl-, ethyl ester
CAS No: 139756-15-3 Catalog No: AG001BNV MDL No:
Product Description
Catalog Number:
AG001BNV
Chemical Name:
1H-Pyrazole-5-carboxylic acid, 1-ethyl-3-propyl-, ethyl ester
CAS Number:
139756-15-3
Molecular Formula:
C11H18N2O2
Molecular Weight:
210.2728
IUPAC Name:
ethyl 2-ethyl-5-propylpyrazole-3-carboxylate
InChI:
InChI=1S/C11H18N2O2/c1-4-7-9-8-10(11(14)15-6-3)13(5-2)12-9/h8H,4-7H2,1-3H3
InChI Key:
MVJRWZJSSDYLBG-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(nn1CC)CCC
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.137g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.277g/mol
Monoisotopic Mass:
210.137g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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