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125330-80-5 | 2-Pyrrolidinone, 3-benzoyl-1-ethenyl-
CAS No: 125330-80-5 Catalog No: AG000NIB MDL No:
Product Description
Catalog Number:
AG000NIB
Chemical Name:
2-Pyrrolidinone, 3-benzoyl-1-ethenyl-
CAS Number:
125330-80-5
Molecular Formula:
C13H13NO2
Molecular Weight:
215.2478
IUPAC Name:
3-benzoyl-1-ethenylpyrrolidin-2-one
InChI:
InChI=1S/C13H13NO2/c1-2-14-9-8-11(13(14)16)12(15)10-6-4-3-5-7-10/h2-7,11H,1,8-9H2
InChI Key:
APPVLGVRZVMIEQ-UHFFFAOYSA-N
SMILES:
C=CN1CCC(C1=O)C(=O)c1ccccc1
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.095g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
215.252g/mol
Monoisotopic Mass:
215.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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