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88070-20-6 | Ethanone, 1-(9-hydroxy-3,5-dimethoxy-8-fluoranthenyl)-
CAS No: 88070-20-6 Catalog No: AG004HWS MDL No:
Product Description
Catalog Number:
AG004HWS
Chemical Name:
Ethanone, 1-(9-hydroxy-3,5-dimethoxy-8-fluoranthenyl)-
CAS Number:
88070-20-6
Molecular Formula:
C20H16O4
Molecular Weight:
320.3386
IUPAC Name:
9-(1-hydroxyethylidene)-2,4-dimethoxyfluoranthen-8-one
InChI:
InChI=1S/C20H16O4/c1-10(21)13-8-14-15(9-18(13)22)12-4-5-19(24-3)17-7-11(23-2)6-16(14)20(12)17/h4-9,21H,1-3H3
InChI Key:
FQJWJVVPWKZWSG-UHFFFAOYSA-N
SMILES:
COc1cc2c3cc(C(=O)C)c(cc3c3c2c(c1)c(OC)cc3)O
Properties
Complexity:
657
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:
2
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.5
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