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Cis-4-Heptenal

CAT: 0931-T203878-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T203878-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
6728-31-0
Target
Others
Related Pathways
Others
Purity
0.9906
Bioactivity
Cis-4-Heptenal is an aldehyde commonly used in flavor preparation, organic synthesis and biochemical experiments.
Smiles
C(\CCC=O)=C\CC
Molecular Formula
C7H12O
Molecular Weight
112.17
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

4-Heptenal, (4Z)-

(Z)-4-Heptenal is a monounsaturated fatty aldehyde.

CAS Number6728-31-0
PubChem CID5362814
IUPAC Name(Z)-hept-4-enal
Molecular FormulaC7H12O
Molecular Weight112.17
XLogP1.4
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Heavy Atom Count8
Formal Charge0
Complexity74
SMILES
CC/C=C\CCC=O
InChI
InChI=1S/C7H12O/c1-2-3-4-5-6-7-8/h3-4,7H,2,5-6H2,1H3/b4-3-
InChIKey
VVGOCOMZRGWHPI-ARJAWSKDSA-N
Chemical Structure
2D Structure
2D structure of 4-Heptenal, (4Z)-
CAS: 6728-31-0
CID: 5362814
Formula: C7H12O
MW: 112.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight112.17
XLogP31.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Exact Mass112.088815002
Monoisotopic Mass112.088815002
Topological Polar Surface Area17.1 Ų
Heavy Atom Count8
Formal Charge0
Complexity74.5
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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