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85524-89-6 | 1H-Inden-1-one, 2-(4-fluorophenyl)-2,3-dihydro-4,5-dimethoxy-7-methyl-
CAS No: 85524-89-6 Catalog No: AG004UST MDL No:
Product Description
Catalog Number:
AG004UST
Chemical Name:
1H-Inden-1-one, 2-(4-fluorophenyl)-2,3-dihydro-4,5-dimethoxy-7-methyl-
CAS Number:
85524-89-6
Molecular Formula:
C18H17FO3
Molecular Weight:
300.3242
IUPAC Name:
2-(4-fluorophenyl)-4,5-dimethoxy-7-methyl-2,3-dihydroinden-1-one
InChI:
InChI=1S/C18H17FO3/c1-10-8-15(21-2)18(22-3)14-9-13(17(20)16(10)14)11-4-6-12(19)7-5-11/h4-8,13H,9H2,1-3H3
InChI Key:
SKOHBUNAGWNHQK-UHFFFAOYSA-N
SMILES:
COc1c(OC)cc(c2c1CC(C2=O)c1ccc(cc1)F)C
Properties
Complexity:
405
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.116g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
300.329g/mol
Monoisotopic Mass:
300.116g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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