CAS: 30414-54-1
الاسم: methyl 3-oxohexanoate
SMILES:
CCCC(=O)CC(=O)OCMolecular 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
4
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: SJPCQNABHNCLPB-UHFFFAOYSA-N
مرادفات
Methyl 3-oxohexanoateHexanoic acid, 3-oxo-, methyl esterEINECS 250-185-9DTXSID90184500EC 250-185-9RefChem:157526DTXCID60106991250-185-9SJPCQNABHNCLPB-UHFFFAOYSA-N30414-54-1Methyl butyrylacetateMethyl 3-oxocaproate3-Oxohexanoic Acid Methyl EsterMFCD00040995methyl 3-ketohexanoate3-oxo-hexanoic acid methyl ester3-Ketohexanoic Acid Methyl EsterButyrylacetic Acid Methyl EsterT2JEP7CFU9SCHEMBL647475orb2939918TYD-00662AKOS000120789AC-7757Caproic acid, beta-oxo-, methyl esterCS-W005176HY-W005176BP-10847DS-17874PD196436
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