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122609-03-4 | 1H-Pyrazole-3-carboxylic acid, 1-ethenyl-, butyl ester
CAS No: 122609-03-4 Catalog No: AG0017JL MDL No:
Product Description
Catalog Number:
AG0017JL
Chemical Name:
1H-Pyrazole-3-carboxylic acid, 1-ethenyl-, butyl ester
CAS Number:
122609-03-4
Molecular Formula:
C10H14N2O2
Molecular Weight:
194.2304
IUPAC Name:
butyl 1-ethenylpyrazole-3-carboxylate
InChI:
InChI=1S/C10H14N2O2/c1-3-5-8-14-10(13)9-6-7-12(4-2)11-9/h4,6-7H,2-3,5,8H2,1H3
InChI Key:
QKYYNJWAQVAMBM-UHFFFAOYSA-N
SMILES:
CCCCOC(=O)c1ccn(n1)C=C
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.106g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.234g/mol
Monoisotopic Mass:
194.106g/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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