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87357-65-1 | Tetradecanoic acid, 3-hydroxy-, 2-oxo-2-phenylethyl ester, (R)-
CAS No: 87357-65-1 Catalog No: AG004KPD MDL No:
Product Description
Catalog Number:
AG004KPD
Chemical Name:
Tetradecanoic acid, 3-hydroxy-, 2-oxo-2-phenylethyl ester, (R)-
CAS Number:
87357-65-1
Molecular Formula:
C22H34O4
Molecular Weight:
362.5030
IUPAC Name:
phenacyl (3R)-3-hydroxytetradecanoate
InChI:
InChI=1S/C22H34O4/c1-2-3-4-5-6-7-8-9-13-16-20(23)17-22(25)26-18-21(24)19-14-11-10-12-15-19/h10-12,14-15,20,23H,2-9,13,16-18H2,1H3/t20-/m1/s1
InChI Key:
GWNIPPQZLLOJTO-HXUWFJFHSA-N
SMILES:
CCCCCCCCCCC[C@H](CC(=O)OCC(=O)c1ccccc1)O
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
362.246g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
362.51g/mol
Monoisotopic Mass:
362.246g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.4
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