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10094-40-3 | 2-Hexen-1-ol, 1-acetate
CAS No: 10094-40-3 Catalog No: AG00039P MDL No:
Product Description
Catalog Number:
AG00039P
Chemical Name:
2-Hexen-1-ol, 1-acetate
CAS Number:
10094-40-3
Molecular Formula:
C8H14O2
Molecular Weight:
142.1956
IUPAC Name:
[(E)-hex-2-enyl] acetate
InChI:
InChI=1S/C8H14O2/c1-3-4-5-6-7-10-8(2)9/h5-6H,3-4,7H2,1-2H3/b6-5+
InChI Key:
HRHOWZHRCRZVCU-AATRIKPKSA-N
SMILES:
CCCC=CCOC(=O)C
UNII:
XDV436N45E
FEMA Number:
2564
Properties
Complexity:
116
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
142.099g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
142.198g/mol
Monoisotopic Mass:
142.099g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Literature
| Title | Journal |
|---|---|
| Antifungal activity of strawberry fruit volatile compounds against Colletotrichum acutatum. | Journal of agricultural and food chemistry 20070711 |
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