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81842-31-1 | 2-Cyclohexen-1-one, 4-(phenylsulfonyl)-4-(2-propenyl)-
CAS No: 81842-31-1 Catalog No: AG0050C1 MDL No:
Product Description
Catalog Number:
AG0050C1
Chemical Name:
2-Cyclohexen-1-one, 4-(phenylsulfonyl)-4-(2-propenyl)-
CAS Number:
81842-31-1
Molecular Formula:
C15H16O3S
Molecular Weight:
276.3507
IUPAC Name:
4-(benzenesulfonyl)-4-prop-2-enylcyclohex-2-en-1-one
InChI:
InChI=1S/C15H16O3S/c1-2-10-15(11-8-13(16)9-12-15)19(17,18)14-6-4-3-5-7-14/h2-8,11H,1,9-10,12H2
InChI Key:
HUTCEKXSVGTLHX-UHFFFAOYSA-N
SMILES:
C=CCC1(CCC(=O)C=C1)S(=O)(=O)c1ccccc1
Properties
Complexity:
478
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.082g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.35g/mol
Monoisotopic Mass:
276.082g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
59.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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