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831181-42-1 | 2-Pyrrolidinone, 3-methyl-5-(2-oxo-2-phenylethylidene)-, (5Z)-
CAS No: 831181-42-1 Catalog No: AG004WDI MDL No:
Product Description
Catalog Number:
AG004WDI
Chemical Name:
2-Pyrrolidinone, 3-methyl-5-(2-oxo-2-phenylethylidene)-, (5Z)-
CAS Number:
831181-42-1
Molecular Formula:
C13H13NO2
Molecular Weight:
215.2478
IUPAC Name:
3-methyl-5-phenacylidenepyrrolidin-2-one
InChI:
InChI=1S/C13H13NO2/c1-9-7-11(14-13(9)16)8-12(15)10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3,(H,14,16)
InChI Key:
QGZONDATFQHQMH-UHFFFAOYSA-N
SMILES:
CC1C/C(=C/C(=O)c2ccccc2)/NC1=O
Properties
Complexity:
327
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:
1
Isotope Atom Count:
0
Molecular Weight:
215.252g/mol
Monoisotopic Mass:
215.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
1.6
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