COC(=O)C1(C)CCCC(N=[N+]=[N-])C1O
Name: racemic methyl-3-azido-2-hydroxy-1-methyl-cyclohexane-carboxylate
SMILES: COC(=O)C1(C)CCCC(N=[N+]=[N-])C1O

Molecular Processing

Molecular formula
C9H15N3O3
Molecular weight
213.24
Exact mass
213.1113
XLogP
1.39
TPSA
95.29
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
15
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.889
Molar refractivity
52.91

Supplementary Information

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