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4798-44-1 | 1-Hexen-3-ol
CAS No: 4798-44-1 Catalog No: AG0034ZK MDL No:MFCD00004581
Product Description
Catalog Number:
AG0034ZK
Chemical Name:
1-Hexen-3-ol
CAS Number:
4798-44-1
Molecular Formula:
C6H12O
Molecular Weight:
100.1589
MDL Number:
MFCD00004581
IUPAC Name:
hex-1-en-3-ol
InChI:
InChI=1S/C6H12O/c1-3-5-6(7)4-2/h4,6-7H,2-3,5H2,1H3
InChI Key:
BVOSSZSHBZQJOI-UHFFFAOYSA-N
SMILES:
CCCC(C=C)O
EC Number:
225-355-0
NSC Number:
89701
FEMA Number:
3608
Properties
Complexity:
50.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
100.089g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
100.161g/mol
Monoisotopic Mass:
100.089g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Literature
| Title | Journal |
|---|---|
| Lutzomyia spp. (Diptera: Psychodidae) response to olfactory attractant- and light emitting diode-modified Mosquito Magnet X (MM-X) traps. | Journal of medical entomology 20090901 |
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