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114264-01-6 | Tetradecanoic acid, 3-(phenylmethoxy)-, methyl ester, (3R)-
CAS No: 114264-01-6 Catalog No: AG000AY5 MDL No:
Product Description
Catalog Number:
AG000AY5
Chemical Name:
Tetradecanoic acid, 3-(phenylmethoxy)-, methyl ester, (3R)-
CAS Number:
114264-01-6
Molecular Formula:
C22H36O3
Molecular Weight:
348.5194
IUPAC Name:
methyl (3R)-3-phenylmethoxytetradecanoate
InChI:
InChI=1S/C22H36O3/c1-3-4-5-6-7-8-9-10-14-17-21(18-22(23)24-2)25-19-20-15-12-11-13-16-20/h11-13,15-16,21H,3-10,14,17-19H2,1-2H3/t21-/m1/s1
InChI Key:
DSQRYVDYSWWRDB-OAQYLSRUSA-N
SMILES:
CCCCCCCCCCC[C@H](CC(=O)OC)OCc1ccccc1
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
348.266g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
348.527g/mol
Monoisotopic Mass:
348.266g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7
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