Name: (S)-4-hydroxy-chroman-7-carbonitrile
SMILES:
N#Cc1ccc2c(c1)OCC[C@@H]2OMolecular Processing
Molecular formula
C10H9NO2
Molecular weight
175.19
Exact mass
175.0633
XLogP
1.37
TPSA
53.25
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
13
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
46.23
Supplementary Information
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