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113966-48-6 | 3-Pentenamide, N-[(4-methylphenyl)sulfonyl]-
CAS No: 113966-48-6 Catalog No: AG000A6C MDL No:
Product Description
Catalog Number:
AG000A6C
Chemical Name:
3-Pentenamide, N-[(4-methylphenyl)sulfonyl]-
CAS Number:
113966-48-6
Molecular Formula:
C12H15NO3S
Molecular Weight:
253.3174
IUPAC Name:
N-(4-methylphenyl)sulfonylpent-3-enamide
InChI:
InChI=1S/C12H15NO3S/c1-3-4-5-12(14)13-17(15,16)11-8-6-10(2)7-9-11/h3-4,6-9H,5H2,1-2H3,(H,13,14)
InChI Key:
AYTMOMNEAQTVAQ-UHFFFAOYSA-N
SMILES:
CC=CCC(=O)NS(=O)(=O)c1ccc(cc1)C
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.077g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
253.316g/mol
Monoisotopic Mass:
253.077g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
71.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.1
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