Nom: 1-adamantyl-1-methylethyl-5-norbornene-2-carboxylate
SMILES:
CC(C)C12C=CC(C1)CC2(C(=O)[O-])C12CC3CC(CC(C3)C1)C2Molecular Processing
Molecular formula
C21H29O2-
Molecular weight
313.46
Exact mass
313.2173
XLogP
3.56
TPSA
40.13
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
23
Rings
6
Aromatic rings
0
Saturated rings
5
Aliphatic rings
6
Stereo centers
3
Undefined stereo
3
Formal charge
-1
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.857
Molar refractivity
87.18
Supplementary Information
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