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88070-16-0 | Ethanone, 1-[9-(acetyloxy)-3-methoxy-8-fluoranthenyl]-
CAS No: 88070-16-0 Catalog No: AG004KNY MDL No:
Product Description
Catalog Number:
AG004KNY
Chemical Name:
Ethanone, 1-[9-(acetyloxy)-3-methoxy-8-fluoranthenyl]-
CAS Number:
88070-16-0
Molecular Formula:
C21H16O4
Molecular Weight:
332.3493
IUPAC Name:
(9-acetyl-4-methoxyfluoranthen-8-yl) acetate
InChI:
InChI=1S/C21H16O4/c1-11(22)16-9-17-13-5-4-6-15-19(24-3)8-7-14(21(13)15)18(17)10-20(16)25-12(2)23/h4-10H,1-3H3
InChI Key:
PRGPBNULPDCARE-UHFFFAOYSA-N
SMILES:
COc1ccc2c3c1cccc3c1c2cc(c(c1)C(=O)C)OC(=O)C
Properties
Complexity:
544
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.105g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
332.355g/mol
Monoisotopic Mass:
332.105g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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