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157257-62-0 | 2,5-Pyrrolidinedione, 3-methylene-1-(2-methylphenyl)-
CAS No: 157257-62-0 Catalog No: AG001PCA MDL No:MFCD29912277
Product Description
Catalog Number:
AG001PCA
Chemical Name:
2,5-Pyrrolidinedione, 3-methylene-1-(2-methylphenyl)-
CAS Number:
157257-62-0
Molecular Formula:
C12H11NO2
Molecular Weight:
201.2212
MDL Number:
MFCD29912277
IUPAC Name:
3-methylidene-1-(2-methylphenyl)pyrrolidine-2,5-dione
InChI:
InChI=1S/C12H11NO2/c1-8-5-3-4-6-10(8)13-11(14)7-9(2)12(13)15/h3-6H,2,7H2,1H3
InChI Key:
HBDFAHAXECNTLI-UHFFFAOYSA-N
SMILES:
C=C1CC(=O)N(C1=O)c1ccccc1C
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.079g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.225g/mol
Monoisotopic Mass:
201.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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