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88036-06-0 | 5,12-Naphthacenedione, 6-(acetyloxy)-
CAS No: 88036-06-0 Catalog No: AG004N1X MDL No:
Product Description
Catalog Number:
AG004N1X
Chemical Name:
5,12-Naphthacenedione, 6-(acetyloxy)-
CAS Number:
88036-06-0
Molecular Formula:
C20H12O4
Molecular Weight:
316.3069
IUPAC Name:
(6,11-dioxotetracen-5-yl) acetate
InChI:
InChI=1S/C20H12O4/c1-11(21)24-20-13-7-3-2-6-12(13)10-16-17(20)19(23)15-9-5-4-8-14(15)18(16)22/h2-10H,1H3
InChI Key:
XLCWBCVBEPWDEK-UHFFFAOYSA-N
SMILES:
CC(=O)Oc1c2C(=O)c3ccccc3C(=O)c2cc2c1cccc2
Properties
Complexity:
554
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.074g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
316.312g/mol
Monoisotopic Mass:
316.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
60.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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