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114485-78-8 | 2-Pyrrolidinone, 5-ethoxy-1-[[2-(4-methoxyphenyl)ethenyl]sulfonyl]-
CAS No: 114485-78-8 Catalog No: AG000EIQ MDL No:
Product Description
Catalog Number:
AG000EIQ
Chemical Name:
2-Pyrrolidinone, 5-ethoxy-1-[[2-(4-methoxyphenyl)ethenyl]sulfonyl]-
CAS Number:
114485-78-8
Molecular Formula:
C15H19NO5S
Molecular Weight:
325.3801
IUPAC Name:
5-ethoxy-1-[2-(4-methoxyphenyl)ethenylsulfonyl]pyrrolidin-2-one
InChI:
InChI=1S/C15H19NO5S/c1-3-21-15-9-8-14(17)16(15)22(18,19)11-10-12-4-6-13(20-2)7-5-12/h4-7,10-11,15H,3,8-9H2,1-2H3
InChI Key:
CMDRHQMJVGPJMF-UHFFFAOYSA-N
SMILES:
CCOC1CCC(=O)N1S(=O)(=O)C=Cc1ccc(cc1)OC
Properties
Complexity:
503
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.098g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
325.379g/mol
Monoisotopic Mass:
325.098g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
81.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
1.7
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