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89543-29-3 | 1H-Pyrrole-2,5-dione, 3-(cyclopropylamino)-1-phenyl-
CAS No: 89543-29-3 Catalog No: AG003YLH MDL No:
Product Description
Catalog Number:
AG003YLH
Chemical Name:
1H-Pyrrole-2,5-dione, 3-(cyclopropylamino)-1-phenyl-
CAS Number:
89543-29-3
Molecular Formula:
C13H12N2O2
Molecular Weight:
228.2466
IUPAC Name:
3-(cyclopropylamino)-1-phenylpyrrole-2,5-dione
InChI:
InChI=1S/C13H12N2O2/c16-12-8-11(14-9-6-7-9)13(17)15(12)10-4-2-1-3-5-10/h1-5,8-9,14H,6-7H2
InChI Key:
XVODMMFFCFKDHO-UHFFFAOYSA-N
SMILES:
O=C1C=C(C(=O)N1c1ccccc1)NC1CC1
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.09g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
228.251g/mol
Monoisotopic Mass:
228.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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