Hexanal

CAT: 0063-21543010-100gSize: 100 gDry Ice: NoHazardous: No

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CAT#:0063-21543010-100gSize:100 g

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CAS Number

66-25-1

Molecular Formula

C6H12O

Molecular Weight

100.1589

Formulation

C6H12O

Chemical Information

Hexanal

Hexanal is a saturated fatty aldehyde that is hexane in which one of the terminal methyl group has been mono-oxygenated to form the corresponding aldehyde. It has a role as a human urinary metabolite. It is a n-alkanal, a saturated fatty aldehyde and a medium-chain fatty aldehyde. It derives from a hydride of a hexane.

CAS Number	66-25-1
PubChem CID	6184
IUPAC Name	hexanal
Molecular Formula	C6H12O
Molecular Weight	100.16
XLogP	1.8
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Heavy Atom Count	7
Formal Charge	0
Complexity	41

SMILES

CCCCCC=O

InChI

InChI=1S/C6H12O/c1-2-3-4-5-6-7/h6H,2-5H2,1H3

InChIKey

JARKCYVAAOWBJS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 66-25-1

CID: 6184

Formula: C6H12O

MW: 100.16

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	100.16
XLogP3	1.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Exact Mass	100.088815002
Monoisotopic Mass	100.088815002
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	41.4
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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279705-01	Hexanal
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281915-01	6-Maleimido-1-hexanal
sc-215145	Hexanal 2,4-dinitrophenylhydrazone
OR86777	2- (4-Nitrophenoxy) hexanal
GTR19259528	6-[1- (Hexyloxy) ethoxy]hexanal (MK16 tail)
REVOC213	VOC Std Hexanal-DNPH 100ug/mL in Acetonitrile - 1ML

Hexanal

Chemical Information

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