이름: 3,4-Dimethyl-pentanal
SMILES:
CC(C)C(C)CC=OMolecular Processing
Molecular formula
C7H14O
Molecular weight
114.19
Exact mass
114.1045
XLogP
1.87
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
3
Heavy atoms
8
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0.857
Molar refractivity
34.68
Supplementary Information
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