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114485-86-8 | 2-Pyrrolidinone, 5-(pentyloxy)-1-[(2-phenylethenyl)sulfonyl]-
CAS No: 114485-86-8 Catalog No: AG000EIL MDL No:
Product Description
Catalog Number:
AG000EIL
Chemical Name:
2-Pyrrolidinone, 5-(pentyloxy)-1-[(2-phenylethenyl)sulfonyl]-
CAS Number:
114485-86-8
Molecular Formula:
C17H23NO4S
Molecular Weight:
337.4338
IUPAC Name:
5-pentoxy-1-(2-phenylethenylsulfonyl)pyrrolidin-2-one
InChI:
InChI=1S/C17H23NO4S/c1-2-3-7-13-22-17-11-10-16(19)18(17)23(20,21)14-12-15-8-5-4-6-9-15/h4-6,8-9,12,14,17H,2-3,7,10-11,13H2,1H3
InChI Key:
XYPQOINYDUCKGS-UHFFFAOYSA-N
SMILES:
CCCCCOC1CCC(=O)N1S(=O)(=O)C=Cc1ccccc1
Properties
Complexity:
503
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
337.135g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
337.434g/mol
Monoisotopic Mass:
337.135g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
3.1
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