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956611-52-2

956611-52-2 | 5-(3,4-dimethoxyphenyl)-5-methylimidazolidine-2,4-dione

CAS No: 956611-52-2 Catalog No: AG019HWB MDL No:MFCD03964701

Product Description

Catalog Number:
AG019HWB
Chemical Name:
5-(3,4-dimethoxyphenyl)-5-methylimidazolidine-2,4-dione
CAS Number:
956611-52-2
Molecular Formula:
C12H14N2O4
Molecular Weight:
250.2506
MDL Number:
MFCD03964701
IUPAC Name:
5-(3,4-dimethoxyphenyl)-5-methylimidazolidine-2,4-dione
InChI:
InChI=1S/C12H14N2O4/c1-12(10(15)13-11(16)14-12)7-4-5-8(17-2)9(6-7)18-3/h4-6H,1-3H3,(H2,13,14,15,16)
InChI Key:
JXEXQYITISXIQL-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC)C1(C)NC(=O)NC1=O

Properties

Complexity:
360  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.095g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
250.254g/mol
Monoisotopic Mass:
250.095g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
76.7A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1  

Literature

Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

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