COc1cc(C=O)cc(C#N)c1O
CAS: 73289-80-2
Name: 5-formyl-2-hydroxy-3-methoxybenzonitrile
SMILES: COc1cc(C=O)cc(C#N)c1O

Molecular Processing

Molecular formula
C9H7NO3
Molecular weight
177.16
Exact mass
177.0426
XLogP
1.08
TPSA
70.32
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.111
Molar refractivity
44.76

Supplementary Information

InChIKey: WOJXDVHCOHEPGD-UHFFFAOYSA-N
Synonyme
73289-80-2Benzonitrile, 5-formyl-2-hydroxy-3-methoxy-5-formyl-2-hydroxy-3-methoxybenzonitrileSCHEMBL7963105WOJXDVHCOHEPGD-UHFFFAOYSA-NDTXSID6012766103-formyl-6-hvdroxy-5-methoxy benzonitrile3-formyl-6-hydroxy-5-methoxy benzonitrile
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