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21083-39-6

21083-39-6 | Dibenzo[a,e]cyclooctene-5,11(6H,12H)-dione

CAS No: 21083-39-6 Catalog No: AG002L0C MDL No:

Product Description

Catalog Number:
AG002L0C
Chemical Name:
Dibenzo[a,e]cyclooctene-5,11(6H,12H)-dione
CAS Number:
21083-39-6
Molecular Formula:
C16H12O2
Molecular Weight:
236.2653
IUPAC Name:
tricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaene-2,10-dione
InChI:
InChI=1S/C16H12O2/c17-15-9-11-5-1-3-7-13(11)16(18)10-12-6-2-4-8-14(12)15/h1-8H,9-10H2
InChI Key:
ABCXULAASUQBOC-UHFFFAOYSA-N
SMILES:
O=C1Cc2ccccc2C(=O)Cc2c1cccc2
NSC Number:
119585

Properties

Complexity:
313  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.084g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.27g/mol
Monoisotopic Mass:
236.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  

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