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1247885-05-7 | 4-Piperidinone, 3,3-diMethyl-1-[(4-Methylphenyl)sulfonyl]-
CAS No: 1247885-05-7 Catalog No: AG000MQW MDL No:
Product Description
Catalog Number:
AG000MQW
Chemical Name:
4-Piperidinone, 3,3-diMethyl-1-[(4-Methylphenyl)sulfonyl]-
CAS Number:
1247885-05-7
Molecular Formula:
C14H19NO3S
Molecular Weight:
281.3706
IUPAC Name:
3,3-dimethyl-1-(4-methylphenyl)sulfonylpiperidin-4-one
InChI:
InChI=1S/C14H19NO3S/c1-11-4-6-12(7-5-11)19(17,18)15-9-8-13(16)14(2,3)10-15/h4-7H,8-10H2,1-3H3
InChI Key:
AWXXURSBOWFCFV-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)N1CCC(=O)C(C1)(C)C
Properties
Complexity:
442
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.109g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
281.37g/mol
Monoisotopic Mass:
281.109g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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