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88058-45-1 | 8-(Benzyloxy)-3,4-dihydronaphthalen-1(2H)-one
CAS No: 88058-45-1 Catalog No: AG004LCJ MDL No:MFCD21337858
Product Description
Catalog Number:
AG004LCJ
Chemical Name:
8-(Benzyloxy)-3,4-dihydronaphthalen-1(2H)-one
CAS Number:
88058-45-1
Molecular Formula:
C17H16O2
Molecular Weight:
252.3077
MDL Number:
MFCD21337858
IUPAC Name:
8-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one
InChI:
InChI=1S/C17H16O2/c18-15-10-4-8-14-9-5-11-16(17(14)15)19-12-13-6-2-1-3-7-13/h1-3,5-7,9,11H,4,8,10,12H2
InChI Key:
FHXGYNYDJHICOK-UHFFFAOYSA-N
SMILES:
O=C1CCCc2c1c(ccc2)OCc1ccccc1
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.115g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.313g/mol
Monoisotopic Mass:
252.115g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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