Home Other Building Blocks 2,5-Pyrrolidinedione, 1-(4-hydroxyphenyl)-

2,5-Pyrrolidinedione, 1-(4-hydroxyphenyl)-

CAS No.:
10187-21-0
Catalog Number:
AG0005TF
Molecular Formula:
C10H9NO3
Molecular Weight:
191.1834
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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
Properties