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114326-35-1 | Dibenz[a,j]anthracene-3,4-dione, 7,14-dimethyl-
CAS No: 114326-35-1 Catalog No: AG000B3H MDL No:
Product Description
Catalog Number:
AG000B3H
Chemical Name:
Dibenz[a,j]anthracene-3,4-dione, 7,14-dimethyl-
CAS Number:
114326-35-1
Molecular Formula:
C24H16O2
Molecular Weight:
336.3826
IUPAC Name:
2,13-dimethylpentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,10,13,15,17,19,21-decaene-7,8-dione
InChI:
InChI=1S/C24H16O2/c1-13-16-8-7-15-5-3-4-6-18(15)22(16)14(2)23-17(13)9-10-20-19(23)11-12-21(25)24(20)26/h3-12H,1-2H3
InChI Key:
JSZXYCIZBMYBCM-UHFFFAOYSA-N
SMILES:
O=C1C(=O)C=Cc2c1ccc1c2c(C)c2c(c1C)ccc1c2cccc1
Properties
Complexity:
634
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.115g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
336.39g/mol
Monoisotopic Mass:
336.115g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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