Name: ketopinic acid
SMILES:
CC1(C)C2CCC1(C(=O)O)C(=O)C2Molecular Processing
Molecular formula
C10H14O3
Molecular weight
182.22
Exact mass
182.0943
XLogP
1.47
TPSA
54.37
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
13
Rings
2
Aromatic rings
0
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.8
Molar refractivity
46.2
Supplementary Information
Details werden geladen…
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