Nombre: propan-2-yl 2-methyl-4-oxobutanoate
SMILES:
CC(C)OC(=O)C(C)CC=OMolecular Processing
Molecular formula
C8H14O3
Molecular weight
158.2
Exact mass
158.0943
XLogP
1.16
TPSA
43.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
11
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.75
Molar refractivity
41.07
Supplementary Information
InChIKey: RWMBBBSWXBGMEX-UHFFFAOYSA-N
Sinónimos
SCHEMBL11259359SCHEMBL18613467RWMBBBSWXBGMEX-UHFFFAOYSA-Nisopropyl 3-formyl-2-methylpropionate
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