COC1=C(C=CC(=C1)C#N)O
CAS: 4421-08-3
الاسم: 4-hydroxy-3-methoxybenzonitrile
SMILES: COC1=C(C=CC(=C1)C#N)O

Molecular Processing

Molecular formula
C8H7NO2
Molecular weight
149.15
Exact mass
149.0477
XLogP
1.27
TPSA
53.25
H-bond donors
1
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
39.37

Supplementary Information

InChIKey: QJRWLNLUIAJTAD-UHFFFAOYSA-N
مرادفات
4-Hydroxy-3-methoxybenzonitrile4421-08-3DTXSID20196070EINECS 224-589-0NSC 158285RefChem:523828DTXCID30118561224-589-0Vanillonitrile4-hydroxy-3-methoxy-benzonitrilem-Anisonitrile, 4-hydroxy-MFCD000018203-methoxy-4-hydroxybenzonitrile4-hydroxy-3-methoxybenzenecarbonitrile2-methoxy-4-cyanophenol4-cyano-2-methoxyphenol5-cyano-2-hydroxyanisole2-methoxy-4-cyano-phenol4-Hydroxy-meta-anisonitrileSCHEMBL459931SCHEMBL517796SCHEMBL298042713-Methoxy-4-hydroxy-benzonitrileNSC158285SBB019877STK346864AKOS0003043724-Hydroxy-3-methoxybenzonitrile, 98%CCG-302543FH34049
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