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6047-29-6

6047-29-6 | 11,12-Dihydrodibenzo[b,f]azocin-6(5H);-one

CAS No: 6047-29-6 Catalog No: AG003M91 MDL No:

Product Description

Catalog Number:
AG003M91
Chemical Name:
11,12-Dihydrodibenzo[b,f]azocin-6(5H);-one
CAS Number:
6047-29-6
Molecular Formula:
C15H13NO
Molecular Weight:
223.2698
IUPAC Name:
11,12-dihydro-5H-benzo[c][1]benzazocin-6-one
InChI:
InChI=1S/C15H13NO/c17-15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)16-15/h1-8H,9-10H2,(H,16,17)
InChI Key:
JZDBKFVASLJURR-UHFFFAOYSA-N
SMILES:
O=C1Nc2ccccc2CCc2c1cccc2
EC Number:
227-942-7
NSC Number:
140720

Properties

Complexity:
289  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.1g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
223.275g/mol
Monoisotopic Mass:
223.1g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  

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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