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129319-15-9 | Benzenemethanol, 4-(acetyloxy)-α-ethyl-, 1-acetate
CAS No: 129319-15-9 Catalog No: AG003AF5 MDL No:
Product Description
Catalog Number:
AG003AF5
Chemical Name:
Benzenemethanol, 4-(acetyloxy)-α-ethyl-, 1-acetate
CAS Number:
129319-15-9
Molecular Formula:
C13H16O4
Molecular Weight:
236.2637
IUPAC Name:
[4-(1-acetyloxypropyl)phenyl] acetate
InChI:
InChI=1S/C13H16O4/c1-4-13(17-10(3)15)11-5-7-12(8-6-11)16-9(2)14/h5-8,13H,4H2,1-3H3
InChI Key:
UAWHZODFGAHJCC-UHFFFAOYSA-N
SMILES:
CCC(c1ccc(cc1)OC(=O)C)OC(=O)C
FEMA Number:
4555
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.105g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.267g/mol
Monoisotopic Mass:
236.105g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Literature
| Title | Journal |
|---|---|
| Identification of dihydrogalangal acetate in galangal [Alpinia galangal (L.) Swartz] extracts. | Journal of agricultural and food chemistry 20090422 |
| Structure-activity relationships of 1'S-1'-acetoxychavicol acetate for inhibitory effect on NO production in lipopolysaccharide-activated mouse peritoneal macrophages. | Bioorganic & medicinal chemistry letters 20050401 |
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