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115898-73-2 | Ethanone, 1-[3-[(2,3-dihydro-1H-inden-2-yl)oxy]-4-methoxyphenyl]-
CAS No: 115898-73-2 Catalog No: AG000H27 MDL No:
Product Description
Catalog Number:
AG000H27
Chemical Name:
Ethanone, 1-[3-[(2,3-dihydro-1H-inden-2-yl)oxy]-4-methoxyphenyl]-
CAS Number:
115898-73-2
Molecular Formula:
C18H18O3
Molecular Weight:
282.3337
IUPAC Name:
1-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxyphenyl]ethanone
InChI:
InChI=1S/C18H18O3/c1-12(19)13-7-8-17(20-2)18(11-13)21-16-9-14-5-3-4-6-15(14)10-16/h3-8,11,16H,9-10H2,1-2H3
InChI Key:
YDTATDYYXUTOEQ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1OC1Cc2c(C1)cccc2)C(=O)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:
282.126g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.339g/mol
Monoisotopic Mass:
282.126g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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