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113966-51-1 | 1-Cyclohexene-1-acetamide, N-[(4-methylphenyl)sulfonyl]-
CAS No: 113966-51-1 Catalog No: AG000A6B MDL No:
Product Description
Catalog Number:
AG000A6B
Chemical Name:
1-Cyclohexene-1-acetamide, N-[(4-methylphenyl)sulfonyl]-
CAS Number:
113966-51-1
Molecular Formula:
C15H19NO3S
Molecular Weight:
293.3813
IUPAC Name:
2-(cyclohexen-1-yl)-N-(4-methylphenyl)sulfonylacetamide
InChI:
InChI=1S/C15H19NO3S/c1-12-7-9-14(10-8-12)20(18,19)16-15(17)11-13-5-3-2-4-6-13/h5,7-10H,2-4,6,11H2,1H3,(H,16,17)
InChI Key:
SJFKSJADDXAODB-UHFFFAOYSA-N
SMILES:
O=C(NS(=O)(=O)c1ccc(cc1)C)CC1=CCCCC1
Properties
Complexity:
468
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.109g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
293.381g/mol
Monoisotopic Mass:
293.109g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
71.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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