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819849-79-1 | 2,5-Pyrrolidinedione, 3-(4-methoxy-2-methylphenyl)-1-methyl-
CAS No: 819849-79-1 Catalog No: AG005G0T MDL No:
Product Description
Catalog Number:
AG005G0T
Chemical Name:
2,5-Pyrrolidinedione, 3-(4-methoxy-2-methylphenyl)-1-methyl-
CAS Number:
819849-79-1
Molecular Formula:
C13H15NO3
Molecular Weight:
233.2631
IUPAC Name:
3-(4-methoxy-2-methylphenyl)-1-methylpyrrolidine-2,5-dione
InChI:
InChI=1S/C13H15NO3/c1-8-6-9(17-3)4-5-10(8)11-7-12(15)14(2)13(11)16/h4-6,11H,7H2,1-3H3
InChI Key:
WWSUSIIHTRKJMQ-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)C)C1CC(=O)N(C1=O)C
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.105g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.267g/mol
Monoisotopic Mass:
233.105g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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