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88861-08-9 | 1-Decanone, 2-methyl-1-phenyl-
CAS No: 88861-08-9 Catalog No: AG004AOL MDL No:
Product Description
Catalog Number:
AG004AOL
Chemical Name:
1-Decanone, 2-methyl-1-phenyl-
CAS Number:
88861-08-9
Molecular Formula:
C17H26O
Molecular Weight:
246.3877
IUPAC Name:
2-methyl-1-phenyldecan-1-one
InChI:
InChI=1S/C17H26O/c1-3-4-5-6-7-9-12-15(2)17(18)16-13-10-8-11-14-16/h8,10-11,13-15H,3-7,9,12H2,1-2H3
InChI Key:
JNYDZBKGOQBBBT-UHFFFAOYSA-N
SMILES:
CCCCCCCCC(C(=O)c1ccccc1)C
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.198g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.394g/mol
Monoisotopic Mass:
246.198g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6.3
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