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3-Hexenal

CAT: 0013-GTR19258928-04Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19258928-04Size:25 mg
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Description
3-Hexenal is an unsaturated aldehyde widely used in biochemical experiments and drug synthesis research.
CAS Number
4440-65-7
Smiles
O=CCC=CCC
Molecular Formula
C6H10O
Molecular Weight
98.14
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-Hexenal

3-hexenal is a hexenal carrying an unsaturation at position 3.

CAS Number4440-65-7
PubChem CID643139
IUPAC Name(E)-hex-3-enal
Molecular FormulaC6H10O
Molecular Weight98.14
XLogP1.1
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Heavy Atom Count7
Formal Charge0
Complexity64
SMILES
CC/C=C/CC=O
InChI
InChI=1S/C6H10O/c1-2-3-4-5-6-7/h3-4,6H,2,5H2,1H3/b4-3+
InChIKey
GXANMBISFKBPEX-ONEGZZNKSA-N
Chemical Structure
2D Structure
2D structure of 3-Hexenal
CAS: 4440-65-7
CID: 643139
Formula: C6H10O
MW: 98.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight98.14
XLogP31.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Exact Mass98.073164938
Monoisotopic Mass98.073164938
Topological Polar Surface Area17.1 Ų
Heavy Atom Count7
Formal Charge0
Complexity64.6
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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