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1191-16-8 | 2-Buten-1-ol, 3-methyl-, 1-acetate
CAS No: 1191-16-8 Catalog No: AG000I6T MDL No:MFCD00036569
Product Description
Catalog Number:
AG000I6T
Chemical Name:
2-Buten-1-ol, 3-methyl-, 1-acetate
CAS Number:
1191-16-8
Molecular Formula:
C7H12O2
Molecular Weight:
128.1690
MDL Number:
MFCD00036569
IUPAC Name:
3-methylbut-2-enyl acetate
InChI:
InChI=1S/C7H12O2/c1-6(2)4-5-9-7(3)8/h4H,5H2,1-3H3
InChI Key:
XXIKYCPRDXIMQM-UHFFFAOYSA-N
SMILES:
CC(=O)OCC=C(C)C
EC Number:
214-730-4
UNII:
I7KOV03HGS
FEMA Number:
4202
Properties
Complexity:
121
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
128.084g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
128.171g/mol
Monoisotopic Mass:
128.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Literature
| Title | Journal |
|---|---|
| Defensive compounds and male-produced sex pheromone of the stink bug, Agroecus griseus. | Journal of chemical ecology 20120901 |
| An alarm pheromone modulates appetitive olfactory learning in the honeybee (apis mellifera). | Frontiers in behavioral neuroscience 20100101 |
| Behavioral genomics of honeybee foraging and nest defense. | Die Naturwissenschaften 20070401 |
| Discovery of 3-methyl-2-buten-1-yl acetate, a new alarm component in the sting apparatus of Africanized honeybees. | Journal of chemical ecology 20030201 |
| An X-ray study of the effect of the bite angle of chelating ligands on the geometry of palladium(allyl) complexes: implications for the regioselectivity in the allylic alkylation. | Inorganic chemistry 20010702 |
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