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114485-82-4 | 2-Pyrrolidinone, 5-(1-methylethoxy)-1-[(2-phenylethenyl)sulfonyl]-
CAS No: 114485-82-4 Catalog No: AG000EIO MDL No:
Product Description
Catalog Number:
AG000EIO
Chemical Name:
2-Pyrrolidinone, 5-(1-methylethoxy)-1-[(2-phenylethenyl)sulfonyl]-
CAS Number:
114485-82-4
Molecular Formula:
C15H19NO4S
Molecular Weight:
309.3807
IUPAC Name:
1-(2-phenylethenylsulfonyl)-5-propan-2-yloxypyrrolidin-2-one
InChI:
InChI=1S/C15H19NO4S/c1-12(2)20-15-9-8-14(17)16(15)21(18,19)11-10-13-6-4-3-5-7-13/h3-7,10-12,15H,8-9H2,1-2H3
InChI Key:
XNSAJUNQAHRZLI-UHFFFAOYSA-N
SMILES:
CC(OC1CCC(=O)N1S(=O)(=O)C=Cc1ccccc1)C
Properties
Complexity:
486
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.103g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
309.38g/mol
Monoisotopic Mass:
309.103g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
2.2
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