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144315-95-7 | 5,12-Naphthacenedione, 8-acetyl-7,8,9,10-tetrahydro-9-phenyl-
CAS No: 144315-95-7 Catalog No: AG001JAU MDL No:
Product Description
Catalog Number:
AG001JAU
Chemical Name:
5,12-Naphthacenedione, 8-acetyl-7,8,9,10-tetrahydro-9-phenyl-
CAS Number:
144315-95-7
Molecular Formula:
C26H20O3
Molecular Weight:
380.4352
IUPAC Name:
8-acetyl-9-phenyl-7,8,9,10-tetrahydrotetracene-5,12-dione
InChI:
InChI=1S/C26H20O3/c1-15(27)21-11-17-13-23-24(26(29)20-10-6-5-9-19(20)25(23)28)14-18(17)12-22(21)16-7-3-2-4-8-16/h2-10,13-14,21-22H,11-12H2,1H3
InChI Key:
FYUPBCBAACIGMR-UHFFFAOYSA-N
SMILES:
CC(=O)C1Cc2cc3C(=O)c4ccccc4C(=O)c3cc2CC1c1ccccc1
Properties
Complexity:
675
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
380.141g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
380.443g/mol
Monoisotopic Mass:
380.141g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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