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838846-39-2 | 2,5-Pyrrolidinedione, 1-methyl-3-[(4-methylphenyl)methylene]-, (3E)-
CAS No: 838846-39-2 Catalog No: AG00544M MDL No:
Product Description
Catalog Number:
AG00544M
Chemical Name:
2,5-Pyrrolidinedione, 1-methyl-3-[(4-methylphenyl)methylene]-, (3E)-
CAS Number:
838846-39-2
Molecular Formula:
C13H13NO2
Molecular Weight:
215.2478
IUPAC Name:
1-methyl-3-[(4-methylphenyl)methylidene]pyrrolidine-2,5-dione
InChI:
InChI=1S/C13H13NO2/c1-9-3-5-10(6-4-9)7-11-8-12(15)14(2)13(11)16/h3-7H,8H2,1-2H3
InChI Key:
DVJZOZWBNCPUKU-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)/C=C/1\CC(=O)N(C1=O)C
Properties
Complexity:
338
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:
1
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.6
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