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70290-53-8 | 2,5-Pyrrolidinedione, 1-(2-methylphenyl)-
CAS No: 70290-53-8 Catalog No: AG005KDA MDL No:
Product Description
Catalog Number:
AG005KDA
Chemical Name:
2,5-Pyrrolidinedione, 1-(2-methylphenyl)-
CAS Number:
70290-53-8
Molecular Formula:
C11H11NO2
Molecular Weight:
189.2105
IUPAC Name:
1-(2-methylphenyl)pyrrolidine-2,5-dione
InChI:
InChI=1S/C11H11NO2/c1-8-4-2-3-5-9(8)12-10(13)6-7-11(12)14/h2-5H,6-7H2,1H3
InChI Key:
DCDBACYZWPRROH-UHFFFAOYSA-N
SMILES:
O=C1CCC(=O)N1c1ccccc1C
Properties
Complexity:
246
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:
0
Isotope Atom Count:
0
Molecular Weight:
189.214g/mol
Monoisotopic Mass:
189.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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