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17790-22-6 | 9,10-Phenanthrenedione, 3-(acetyloxy)-
CAS No: 17790-22-6 Catalog No: AG0025LQ MDL No:
Product Description
Catalog Number:
AG0025LQ
Chemical Name:
9,10-Phenanthrenedione, 3-(acetyloxy)-
CAS Number:
17790-22-6
Molecular Formula:
C16H10O4
Molecular Weight:
266.2482
IUPAC Name:
(9,10-dioxophenanthren-3-yl) acetate
InChI:
InChI=1S/C16H10O4/c1-9(17)20-10-6-7-13-14(8-10)11-4-2-3-5-12(11)15(18)16(13)19/h2-8H,1H3
InChI Key:
RAMNGGSRBWCTON-UHFFFAOYSA-N
SMILES:
CC(=O)Oc1ccc2c(c1)c1ccccc1C(=O)C2=O
NSC Number:
97650
Properties
Complexity:
442
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.058g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.252g/mol
Monoisotopic Mass:
266.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
60.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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