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116644-59-8 | Dodecanoic acid, (1R)-1-phenylethyl ester
CAS No: 116644-59-8 Catalog No: AG000CY0 MDL No:
Product Description
Catalog Number:
AG000CY0
Chemical Name:
Dodecanoic acid, (1R)-1-phenylethyl ester
CAS Number:
116644-59-8
Molecular Formula:
C20H32O2
Molecular Weight:
304.4669
IUPAC Name:
[(1R)-1-phenylethyl] dodecanoate
InChI:
InChI=1S/C20H32O2/c1-3-4-5-6-7-8-9-10-14-17-20(21)22-18(2)19-15-12-11-13-16-19/h11-13,15-16,18H,3-10,14,17H2,1-2H3/t18-/m1/s1
InChI Key:
AOOSIBUUMZYKMN-GOSISDBHSA-N
SMILES:
CCCCCCCCCCCC(=O)O[C@@H](c1ccccc1)C
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
304.24g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
304.474g/mol
Monoisotopic Mass:
304.24g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.2
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