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117417-00-2 | Cyclooct[b]anthracene-1,4-dione, 4a,5,6,6a,12a,13,14,14a-octahydro-
CAS No: 117417-00-2 Catalog No: AG000EAU MDL No:
Product Description
Catalog Number:
AG000EAU
Chemical Name:
Cyclooct[b]anthracene-1,4-dione, 4a,5,6,6a,12a,13,14,14a-octahydro-
CAS Number:
117417-00-2
Molecular Formula:
C20H20O2
Molecular Weight:
292.3716
IUPAC Name:
tetracyclo[10.8.0.03,10.014,19]icosa-1(12),4,6,8,16-pentaene-15,18-dione
InChI:
InChI=1S/C20H20O2/c21-19-7-8-20(22)18-12-16-10-14-6-4-2-1-3-5-13(14)9-15(16)11-17(18)19/h1-8,13-14,17-18H,9-12H2
InChI Key:
ULNIEVBCDQEJNR-UHFFFAOYSA-N
SMILES:
O=C1C=CC(=O)C2C1CC1=C(C2)CC2C(C1)C=CC=CC=C2
Properties
Complexity:
616
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.146g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
292.378g/mol
Monoisotopic Mass:
292.146g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
3
XLogP3:
2.6
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