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144688-35-7 | 2-Undecanone, 3-phenyl-
CAS No: 144688-35-7 Catalog No: AG001K0K MDL No:
Product Description
Catalog Number:
AG001K0K
Chemical Name:
2-Undecanone, 3-phenyl-
CAS Number:
144688-35-7
Molecular Formula:
C17H26O
Molecular Weight:
246.3877
IUPAC Name:
3-phenylundecan-2-one
InChI:
InChI=1S/C17H26O/c1-3-4-5-6-7-11-14-17(15(2)18)16-12-9-8-10-13-16/h8-10,12-13,17H,3-7,11,14H2,1-2H3
InChI Key:
LEYJILBKNYLFRW-UHFFFAOYSA-N
SMILES:
CCCCCCCCC(c1ccccc1)C(=O)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:
5.7
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