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124389-48-6 | Phenol, 4-[3-(acetyloxy)-1-propen-1-yl]-
CAS No: 124389-48-6 Catalog No: AG000LXV MDL No:
Product Description
Catalog Number:
AG000LXV
Chemical Name:
Phenol, 4-[3-(acetyloxy)-1-propen-1-yl]-
CAS Number:
124389-48-6
Molecular Formula:
C11H12O3
Molecular Weight:
192.2112
IUPAC Name:
3-(4-hydroxyphenyl)prop-2-enyl acetate
InChI:
InChI=1S/C11H12O3/c1-9(12)14-8-2-3-10-4-6-11(13)7-5-10/h2-7,13H,8H2,1H3
InChI Key:
UUEPXFWSBUIUAZ-UHFFFAOYSA-N
SMILES:
CC(=O)OCC=Cc1ccc(cc1)O
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.079g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
192.214g/mol
Monoisotopic Mass:
192.079g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.9
Literature
| Title | Journal |
|---|---|
| Biosynthesis of t-anethole in anise: characterization of t-anol/isoeugenol synthase and an O-methyltransferase specific for a C7-C8 propenyl side chain. | Plant physiology 20090101 |
| Structure and reaction mechanism of basil eugenol synthase. | PloS one 20070101 |
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