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114946-36-0 | 1H-Cyclopent[b]anthracene-1,2,3-trione
CAS No: 114946-36-0 Catalog No: AG000FHD MDL No:
Product Description
Catalog Number:
AG000FHD
Chemical Name:
1H-Cyclopent[b]anthracene-1,2,3-trione
CAS Number:
114946-36-0
Molecular Formula:
C17H8O3
Molecular Weight:
260.2436
IUPAC Name:
cyclopenta[b]anthracene-1,2,3-trione
InChI:
InChI=1S/C17H8O3/c18-15-13-7-11-5-9-3-1-2-4-10(9)6-12(11)8-14(13)16(19)17(15)20/h1-8H
InChI Key:
BNTKPGLRZMQXKB-UHFFFAOYSA-N
SMILES:
O=c1c(=O)c2c(c1=O)cc1c(c2)cc2c(c1)cccc2
Properties
Complexity:
439
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.047g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.248g/mol
Monoisotopic Mass:
260.047g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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