Nombre: n-dodecanedioic acid
SMILES:
O=C(O)CCCCCCCCCCC(=O)OMolecular Processing
Molecular formula
C12H22O4
Molecular weight
230.3
Exact mass
230.1518
XLogP
3.06
TPSA
74.6
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
11
Heavy atoms
16
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.833
Molar refractivity
61.44
Supplementary Information
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