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113747-69-6 | Hexanoic acid, 2-hydroxy-, ethyl ester, (2R)-
CAS No: 113747-69-6 Catalog No: AG0009J9 MDL No:
Product Description
Catalog Number:
AG0009J9
Chemical Name:
Hexanoic acid, 2-hydroxy-, ethyl ester, (2R)-
CAS Number:
113747-69-6
Molecular Formula:
C8H16O3
Molecular Weight:
160.2108
IUPAC Name:
ethyl 2-hydroxyhexanoate
InChI:
InChI=1S/C8H16O3/c1-3-5-6-7(9)8(10)11-4-2/h7,9H,3-6H2,1-2H3
InChI Key:
MRYSSTRVUMCKKB-UHFFFAOYSA-N
SMILES:
CCCC[C@H](C(=O)OCC)O
EC Number:
257-655-2
Properties
Complexity:
112
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.11g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
160.213g/mol
Monoisotopic Mass:
160.11g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Literature
| Title | Journal |
|---|---|
| Aroma volatiles recovered in the water phase of cashew apple (Anacardium occidentale L.) juice during concentration. | Journal of the science of food and agriculture 20110815 |
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