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879489-32-4 | 2H-Pyrrol-2-one, 3-ethenyl-1,5-dihydro-5-methyl-4-phenyl-
CAS No: 879489-32-4 Catalog No: AG004EF4 MDL No:
Product Description
Catalog Number:
AG004EF4
Chemical Name:
2H-Pyrrol-2-one, 3-ethenyl-1,5-dihydro-5-methyl-4-phenyl-
CAS Number:
879489-32-4
Molecular Formula:
C13H13NO
Molecular Weight:
199.2484
IUPAC Name:
4-ethenyl-2-methyl-3-phenyl-1,2-dihydropyrrol-5-one
InChI:
InChI=1S/C13H13NO/c1-3-11-12(9(2)14-13(11)15)10-7-5-4-6-8-10/h3-9H,1H2,2H3,(H,14,15)
InChI Key:
VIJGTXYJXBZMHY-UHFFFAOYSA-N
SMILES:
C=CC1=C(C(NC1=O)C)c1ccccc1
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.1g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
199.253g/mol
Monoisotopic Mass:
199.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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