CC1=C(C=C(C=C1)CC#N)O
CAS: 103264-70-6
Nombre: 2-(3-hydroxy-4-methylphenyl)acetonitrile
SMILES: CC1=C(C=C(C=C1)CC#N)O

Molecular Processing

Molecular formula
C9H9NO
Molecular weight
147.18
Exact mass
147.0684
XLogP
1.77
TPSA
44.02
H-bond donors
1
H-bond acceptors
2
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
2
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
42.16

Supplementary Information

InChIKey: QAOJXZSPCDKVBM-UHFFFAOYSA-N
Sinónimos
2-(3-Hydroxy-4-methylphenyl)acetonitrile103264-70-63-hydroxy-4-methylphenylacetonitrileSCHEMBL1235275QAOJXZSPCDKVBM-UHFFFAOYSA-N(3-Hydroxy-4-methylphenyl)-acetonitrileEN300-1858922
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