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29753-26-2 | 1H-Pyrrole-2,5-dione, 1-(4-aminophenyl)-
CAS No: 29753-26-2 Catalog No: AG002ZB0 MDL No:MFCD00051191
Product Description
Catalog Number:
AG002ZB0
Chemical Name:
1H-Pyrrole-2,5-dione, 1-(4-aminophenyl)-
CAS Number:
29753-26-2
Molecular Formula:
C10H8N2O2
Molecular Weight:
188.1827
MDL Number:
MFCD00051191
IUPAC Name:
1-(4-aminophenyl)pyrrole-2,5-dione
InChI:
InChI=1S/C10H8N2O2/c11-7-1-3-8(4-2-7)12-9(13)5-6-10(12)14/h1-6H,11H2
InChI Key:
XOPCHXSYQHXLHJ-UHFFFAOYSA-N
SMILES:
O=C1C=CC(=O)N1c1ccc(cc1)N
EC Number:
249-824-4
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.059g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
188.186g/mol
Monoisotopic Mass:
188.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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