Home Other Building Blocks Hepta-2,4-dien-1-ol

Hepta-2,4-dien-1-ol

CAS No.:
33467-79-7
Catalog Number:
AG003QUJ
Molecular Formula:
C7H12O
Molecular Weight:
112.1696
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Product Description
Catalog Number:
AG003QUJ
Chemical Name:
Hepta-2,4-dien-1-ol
CAS Number:
33467-79-7
Molecular Formula:
C7H12O
Molecular Weight:
112.1696
MDL Number:
MFCD00014049
IUPAC Name:
(2E,4E)-hepta-2,4-dien-1-ol
InChI:
InChI=1S/C7H12O/c1-2-3-4-5-6-7-8/h3-6,8H,2,7H2,1H3/b4-3+,6-5+
InChI Key:
MDRZSADXFOPYOC-VNKDHWASSA-N
SMILES:
CC/C=C/C=C/CO
EC Number:
251-535-3
UNII:
9954PJF37O
FEMA Number:
4127
Properties
Complexity:
82.4  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2  
Exact Mass:
112.089g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
112.172g/mol
Monoisotopic Mass:
112.089g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Literature
Title Journal
The aggregation pheromone of Diorhabda elongata, a biological control agent of saltcedar (Tamarix spp.): identification of two behaviorally active components. Journal of chemical ecology 20050301
Properties