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89377-91-3 | 1H-Benz[e]inden-1-one, 5,8-diethoxy-2,3-dihydro-3-methyl-
CAS No: 89377-91-3 Catalog No: AG003WMH MDL No:
Product Description
Catalog Number:
AG003WMH
Chemical Name:
1H-Benz[e]inden-1-one, 5,8-diethoxy-2,3-dihydro-3-methyl-
CAS Number:
89377-91-3
Molecular Formula:
C18H20O3
Molecular Weight:
284.3496
IUPAC Name:
5,8-diethoxy-3-methyl-2,3-dihydrocyclopenta[a]naphthalen-1-one
InChI:
InChI=1S/C18H20O3/c1-4-20-12-6-7-13-15(9-12)18-14(10-17(13)21-5-2)11(3)8-16(18)19/h6-7,9-11H,4-5,8H2,1-3H3
InChI Key:
PMIHTGTWSDQFLW-UHFFFAOYSA-N
SMILES:
CCOc1ccc2c(c1)c1C(=O)CC(c1cc2OCC)C
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.141g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.355g/mol
Monoisotopic Mass:
284.141g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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