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113709-97-0 | 1H-Pyrrole-2,5-dione, 3-(cyclohexylamino)-1-(4-methylphenyl)-
CAS No: 113709-97-0 Catalog No: AG0009EX MDL No:
Product Description
Catalog Number:
AG0009EX
Chemical Name:
1H-Pyrrole-2,5-dione, 3-(cyclohexylamino)-1-(4-methylphenyl)-
CAS Number:
113709-97-0
Molecular Formula:
C17H20N2O2
Molecular Weight:
284.3529
IUPAC Name:
3-(cyclohexylamino)-1-(4-methylphenyl)pyrrole-2,5-dione
InChI:
InChI=1S/C17H20N2O2/c1-12-7-9-14(10-8-12)19-16(20)11-15(17(19)21)18-13-5-3-2-4-6-13/h7-11,13,18H,2-6H2,1H3
InChI Key:
MUTRSICRGUFQFR-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)N1C(=O)C=C(C1=O)NC1CCCCC1
Properties
Complexity:
444
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.152g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
284.359g/mol
Monoisotopic Mass:
284.152g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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