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127806-88-6 | Ethanone, 1-[3-methyl-4-(octyloxy)phenyl]-
CAS No: 127806-88-6 Catalog No: AG000XFY MDL No:
Product Description
Catalog Number:
AG000XFY
Chemical Name:
Ethanone, 1-[3-methyl-4-(octyloxy)phenyl]-
CAS Number:
127806-88-6
Molecular Formula:
C17H26O2
Molecular Weight:
262.3871
IUPAC Name:
1-(3-methyl-4-octoxyphenyl)ethanone
InChI:
InChI=1S/C17H26O2/c1-4-5-6-7-8-9-12-19-17-11-10-16(15(3)18)13-14(17)2/h10-11,13H,4-9,12H2,1-3H3
InChI Key:
XRERYKWRTUHZMM-UHFFFAOYSA-N
SMILES:
CCCCCCCCOc1ccc(cc1C)C(=O)C
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.193g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.393g/mol
Monoisotopic Mass:
262.193g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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