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866149-95-3

866149-95-3 | 6-cyclohexyl-4-hydroxy-2H,5H,6H-pyrano[3,2-c]quinoline-2,5-dione

CAS No: 866149-95-3 Catalog No: AG00IZ79 MDL No:MFCD05668988

Product Description

Catalog Number:
AG00IZ79
Chemical Name:
6-cyclohexyl-4-hydroxy-2H,5H,6H-pyrano[3,2-c]quinoline-2,5-dione
CAS Number:
866149-95-3
Molecular Formula:
C18H17NO4
Molecular Weight:
311.3319
MDL Number:
MFCD05668988
IUPAC Name:
6-cyclohexyl-4-hydroxypyrano[3,2-c]quinoline-2,5-dione
InChI:
InChI=1S/C18H17NO4/c20-14-10-15(21)23-17-12-8-4-5-9-13(12)19(18(22)16(14)17)11-6-2-1-3-7-11/h4-5,8-11,20H,1-3,6-7H2
InChI Key:
UIHYUKFWBJCQDS-UHFFFAOYSA-N
SMILES:
O=c1cc(O)c2c(o1)c1ccccc1n(c2=O)C1CCCCC1

Properties

Complexity:
600  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.116g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
311.337g/mol
Monoisotopic Mass:
311.116g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  

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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