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Home > Nitro Compounds > 88460-86-0
88460-86-0 | 2-Pyrrolidinone, 5-(nitromethyl)-1-(2-phenylethenyl)-
CAS No: 88460-86-0 Catalog No: AG004CNK MDL No:
Product Description
Catalog Number:
AG004CNK
Chemical Name:
2-Pyrrolidinone, 5-(nitromethyl)-1-(2-phenylethenyl)-
CAS Number:
88460-86-0
Molecular Formula:
C13H14N2O3
Molecular Weight:
246.2619
IUPAC Name:
5-(nitromethyl)-1-(2-phenylethenyl)pyrrolidin-2-one
InChI:
InChI=1S/C13H14N2O3/c16-13-7-6-12(10-15(17)18)14(13)9-8-11-4-2-1-3-5-11/h1-5,8-9,12H,6-7,10H2
InChI Key:
ZGZCBPPCJXLKPN-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)CC1CCC(=O)N1C=Cc1ccccc1
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.1g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.266g/mol
Monoisotopic Mass:
246.1g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
1.6
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