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1012-81-3 | 2,5-Pyrrolidinedione, 1-(2-aminophenyl)-
CAS No: 1012-81-3 Catalog No: AG0003XO MDL No:MFCD00022591
Product Description
Catalog Number:
AG0003XO
Chemical Name:
2,5-Pyrrolidinedione, 1-(2-aminophenyl)-
CAS Number:
1012-81-3
Molecular Formula:
C10H10N2O2
Molecular Weight:
190.1986
MDL Number:
MFCD00022591
IUPAC Name:
1-(2-aminophenyl)pyrrolidine-2,5-dione
InChI:
InChI=1S/C10H10N2O2/c11-7-3-1-2-4-8(7)12-9(13)5-6-10(12)14/h1-4H,5-6,11H2
InChI Key:
AKFYFUDAHYYAPB-UHFFFAOYSA-N
SMILES:
O=C1CCC(=O)N1c1ccccc1N
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.074g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
190.202g/mol
Monoisotopic Mass:
190.074g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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