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71857-51-7 | 2,5-Pyrrolidinedione, 3-(4-methylphenyl)-
CAS No: 71857-51-7 Catalog No: AG005FCP MDL No:MFCD08055956
Product Description
Catalog Number:
AG005FCP
Chemical Name:
2,5-Pyrrolidinedione, 3-(4-methylphenyl)-
CAS Number:
71857-51-7
Molecular Formula:
C11H11NO2
Molecular Weight:
189.2105
MDL Number:
MFCD08055956
IUPAC Name:
3-(4-methylphenyl)pyrrolidine-2,5-dione
InChI:
InChI=1S/C11H11NO2/c1-7-2-4-8(5-3-7)9-6-10(13)12-11(9)14/h2-5,9H,6H2,1H3,(H,12,13,14)
InChI Key:
UTEQVNJUAHXKLH-UHFFFAOYSA-N
SMILES:
O=C1NC(=O)CC1c1ccc(cc1)C
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.079g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
189.214g/mol
Monoisotopic Mass:
189.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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