CC1=CC(=C(C=C1)C#N)O
CAS: 18495-14-2
名称: 2-hydroxy-4-methylbenzonitrile
SMILES: CC1=CC(=C(C=C1)C#N)O

Molecular Processing

Molecular formula
C8H7NO
Molecular weight
133.15
Exact mass
133.0528
XLogP
1.57
TPSA
44.02
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
10
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
0.125
Molar refractivity
37.56

Supplementary Information

InChIKey: WAFLXCCXXVMUKI-UHFFFAOYSA-N
同義語
2-Hydroxy-4-methylbenzonitrile18495-14-2DTXSID90559714RefChem:87422DTXCID20510494849-035-02-HYDROXY-4-METHYL-BENZONITRILEMFCD022619412-Hydroxy-4-methyk-benzonitrileBENZONITRILE, 2-HYDROXY-4-METHYL-SCHEMBL2614496SCHEMBL17796273WAFLXCCXXVMUKI-UHFFFAOYSA-NCL8169AKOS011586562AB11820CS-W023066FH42036AC-22655DS-12556SY102365DB-006147EN300-1615120F077824
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