CCCCCC(=O)C
CAS: 110-43-0
Nombre: heptan-2-one
SMILES: CCCCCC(=O)C

Molecular Processing

Molecular formula
C7H14O
Molecular weight
114.19
Exact mass
114.1045
XLogP
2.16
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
4
Heavy atoms
8
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
0.857
Molar refractivity
34.82

Supplementary Information

InChIKey: CATSNJVOTSVZJV-UHFFFAOYSA-N
Sinónimos
2-HEPTANONEHeptan-2-one110-43-0Methyl pentyl ketoneButylacetoneAmyl methyl ketoneMethyl amyl ketoneMethyl n-amyl ketonen-Amyl methyl ketonen-Pentyl methyl ketonePentyl methyl ketoneMethyl n-pentyl ketoneKetone, methyl pentylAmyl-methyl-cetoneMethyl-amyl-cetoneKetone C-7Methyl-n-amylketoneFEMA No. 2544FEMA Number 2544DTXSID502191689VVP1B008NSC-7313CHEBI:5672DTXCID601916methyl-n-amyl ketoneMethyl (n-amyl) ketoneRefChem:25844203-767-1HeptanoneNSC 7313
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