COC(=O)CCCCC=O
CAS: 6654-36-0
Nom: methyl 6-oxohexanoate
SMILES: COC(=O)CCCCC=O

Molecular Processing

Molecular formula
C7H12O3
Molecular weight
144.17
Exact mass
144.0786
XLogP
0.92
TPSA
43.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
10
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.714
Molar refractivity
36.55

Supplementary Information

InChIKey: FDNFXHCDOASWAY-UHFFFAOYSA-N
Synonymes
Methyl 6-oxohexanoate6654-36-0Methyl 5-formylvalerateHexanoic acid, 6-oxo-, methyl ester7X64TVR6UTDTXSID80216723RefChem:817093DTXCID10139214229-678-8Methyl adipaldehydateMFCD000634226-oxo-hexanoic acid methyl ester5-Carbomethoxy-1-pentanalEINECS 229-678-8Methyl6-oxohexanoatemethyl 6-oxo-hexanoatemethyl 5-formylpentanoateSCHEMBL272758SCHEMBL893048SCHEMBL4652124AKOS022184302Adipic semialdehyde methyl ester, >=95%DA-19193DS-18212SY042645NS00036048EN300-51945C76096
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Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→