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148615-28-5 | Octanoic acid, (1R)-1-phenylethyl ester
CAS No: 148615-28-5 Catalog No: AG001L2B MDL No:
Product Description
Catalog Number:
AG001L2B
Chemical Name:
Octanoic acid, (1R)-1-phenylethyl ester
CAS Number:
148615-28-5
Molecular Formula:
C16H24O2
Molecular Weight:
248.3606
IUPAC Name:
[(1R)-1-phenylethyl] octanoate
InChI:
InChI=1S/C16H24O2/c1-3-4-5-6-10-13-16(17)18-14(2)15-11-8-7-9-12-15/h7-9,11-12,14H,3-6,10,13H2,1-2H3/t14-/m1/s1
InChI Key:
KEKSMFRTVJMXLK-CQSZACIVSA-N
SMILES:
CCCCCCCC(=O)O[C@@H](c1ccccc1)C
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
248.178g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.366g/mol
Monoisotopic Mass:
248.178g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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