CCCCCC=O
CAS: 66-25-1
Nom: hexanal
SMILES: CCCCCC=O

Molecular Processing

Molecular formula
C6H12O
Molecular weight
100.16
Exact mass
100.0888
XLogP
1.77
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
4
Heavy atoms
7
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0.833
Molar refractivity
30.21

Supplementary Information

InChIKey: JARKCYVAAOWBJS-UHFFFAOYSA-N
Synonymes
HEXANALCaproaldehyde66-25-1HexaldehydeCaproic aldehyden-HexanalCapronaldehyde1-Hexanaln-CaproaldehydeHexanaldehydeHexylaldehydeAldehyde C-6n-CapronaldehydeHexoic aldehyden-Caproylaldehyden-Hexylaldehyden-HexaldehydeC6 aldehyden-Caproic aldehydeKapronaldehydFEMA No. 2557FEMA Number 2557DTXSID20216049DC2K31JJQNSC-2596DTXCID901604CHEBI:88528E-2-hexanalRefChem:5884200-624-5
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Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→