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101401-98-3 | 5,12-Naphthacenedione, 8-acetyl-7,8,9,10-tetrahydro-8-hydroxy-
CAS No: 101401-98-3 Catalog No: AG0004EJ MDL No:
Product Description
Catalog Number:
AG0004EJ
Chemical Name:
5,12-Naphthacenedione, 8-acetyl-7,8,9,10-tetrahydro-8-hydroxy-
CAS Number:
101401-98-3
Molecular Formula:
C20H16O4
Molecular Weight:
320.3386
IUPAC Name:
9-acetyl-9-hydroxy-8,10-dihydro-7H-tetracene-5,12-dione
InChI:
InChI=1S/C20H16O4/c1-11(21)20(24)7-6-12-8-16-17(9-13(12)10-20)19(23)15-5-3-2-4-14(15)18(16)22/h2-5,8-9,24H,6-7,10H2,1H3
InChI Key:
FECCYZLBKXLFDB-UHFFFAOYSA-N
SMILES:
O=C1c2cc3CCC(Cc3cc2C(=O)c2c1cccc2)(O)C(=O)C
Properties
Complexity:
582
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.105g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
320.344g/mol
Monoisotopic Mass:
320.105g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
71.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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