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26381-80-6 | 1H-Pyrazole-5-carboxylic acid, 1,3-diethyl-, ethyl ester
CAS No: 26381-80-6 Catalog No: AG002SXU MDL No:
Product Description
Catalog Number:
AG002SXU
Chemical Name:
1H-Pyrazole-5-carboxylic acid, 1,3-diethyl-, ethyl ester
CAS Number:
26381-80-6
Molecular Formula:
C10H16N2O2
Molecular Weight:
196.2462
IUPAC Name:
ethyl 2,5-diethylpyrazole-3-carboxylate
InChI:
InChI=1S/C10H16N2O2/c1-4-8-7-9(10(13)14-6-3)12(5-2)11-8/h7H,4-6H2,1-3H3
InChI Key:
WLRHZZLGOPMENP-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(nn1CC)CC
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.121g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.25g/mol
Monoisotopic Mass:
196.121g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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