C1=CC(=C(C=C1CC#N)O)O
CAS: 1126-62-1
Nom: 2-(3,4-dihydroxyphenyl)acetonitrile
SMILES: C1=CC(=C(C=C1CC#N)O)O

Molecular Processing

Molecular formula
C8H7NO2
Molecular weight
149.15
Exact mass
149.0477
XLogP
1.16
TPSA
64.25
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
11
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
39.09

Supplementary Information

InChIKey: IXDSDBYUZFMVBW-UHFFFAOYSA-N
Synonymes
2-(3,4-Dihydroxyphenyl)acetonitrile1126-62-1DTXSID80447959RefChem:251207DTXCID30398780(3,4-dihydroxyphenyl)acetonitrileMFCD00236011Dopamine Impurity 73,4-DIHYDROXYPHENYLACETONITRILE4,5-dihydroxyphenylacetonitrileSCHEMBL1465493CHEMBL5281899IXDSDBYUZFMVBW-UHFFFAOYSA-N(3,4-dihydroxy-phenyl)-acetonitrile2-(3,4-Dihydroxyphenyl)-acetonitrileAKOS006272215NS-01136DB-060227CS-0161192D82364F693145
Voir la source →
Impliqué dans 49 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→