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89296-26-4 | 1H-Benz[e]inden-1-one, 2,3-dihydro-5,8-dimethoxy-3-methyl-
CAS No: 89296-26-4 Catalog No: AG0040D3 MDL No:
Product Description
Catalog Number:
AG0040D3
Chemical Name:
1H-Benz[e]inden-1-one, 2,3-dihydro-5,8-dimethoxy-3-methyl-
CAS Number:
89296-26-4
Molecular Formula:
C16H16O3
Molecular Weight:
256.2964
IUPAC Name:
5,8-dimethoxy-3-methyl-2,3-dihydrocyclopenta[a]naphthalen-1-one
InChI:
InChI=1S/C16H16O3/c1-9-6-14(17)16-12(9)8-15(19-3)11-5-4-10(18-2)7-13(11)16/h4-5,7-9H,6H2,1-3H3
InChI Key:
AQMUPTUAOCJJJA-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)c1C(=O)CC(c1cc2OC)C
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.11g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.301g/mol
Monoisotopic Mass:
256.11g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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