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824984-10-3 | Methanesulfonamide, N-[(1S,2E)-1-ethyl-3-phenyl-2-propenyl]-
CAS No: 824984-10-3 Catalog No: AG004UJ3 MDL No:
Product Description
Catalog Number:
AG004UJ3
Chemical Name:
Methanesulfonamide, N-[(1S,2E)-1-ethyl-3-phenyl-2-propenyl]-
CAS Number:
824984-10-3
Molecular Formula:
C12H17NO2S
Molecular Weight:
239.3339
IUPAC Name:
N-[(3S)-1-phenylpent-1-en-3-yl]methanesulfonamide
InChI:
InChI=1S/C12H17NO2S/c1-3-12(13-16(2,14)15)10-9-11-7-5-4-6-8-11/h4-10,12-13H,3H2,1-2H3/t12-/m0/s1
InChI Key:
WCJKFRVFLKWBBT-LBPRGKRZSA-N
SMILES:
CC[C@H](NS(=O)(=O)C)/C=C/c1ccccc1
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
239.098g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
239.333g/mol
Monoisotopic Mass:
239.098g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
54.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.4
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