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10187-21-0 | 2,5-Pyrrolidinedione, 1-(4-hydroxyphenyl)-
CAS No: 10187-21-0 Catalog No: AG0005TF MDL No:MFCD00466649
Product Description
Catalog Number:
AG0005TF
Chemical Name:
2,5-Pyrrolidinedione, 1-(4-hydroxyphenyl)-
CAS Number:
10187-21-0
Molecular Formula:
C10H9NO3
Molecular Weight:
191.1834
MDL Number:
MFCD00466649
IUPAC Name:
1-(4-hydroxyphenyl)pyrrolidine-2,5-dione
InChI:
InChI=1S/C10H9NO3/c12-8-3-1-7(2-4-8)11-9(13)5-6-10(11)14/h1-4,12H,5-6H2
InChI Key:
SWLPIQAFVWFMIR-UHFFFAOYSA-N
SMILES:
O=C1CCC(=O)N1c1ccc(cc1)O
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.058g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
191.186g/mol
Monoisotopic Mass:
191.058g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
Literature
| Title | Journal |
|---|---|
| Homology modeling and molecular dynamics of CYP1A1 and CYP2B1 to explore the metabolism of aryl derivatives by docking and experimental assays. | European journal of medicinal chemistry 20101101 |
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