CC1=C(C=CC(=C1)C#N)O
CAS: 15777-70-5
이름: 4-hydroxy-3-methylbenzonitrile
SMILES: CC1=C(C=CC(=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: WTTADDGUHFYGEH-UHFFFAOYSA-N
동의어
4-hydroxy-3-methylbenzonitrile15777-70-5RefChem:99199871-031-2Benzonitrile, 4-hydroxy-3-methyl-MFCD118487624-hydroxy-3-methyl-benzonitrile3-methyl-4-hydroxy-benzonitrile4-cyanocresolSCHEMBL2331670SCHEMBL177962534-Hydroxy-3-methyl benzonitrileWTTADDGUHFYGEH-UHFFFAOYSA-NDTXSID801306382AKOS008140745CS-W006508MB10144AC-28624AS-19632SY032721DB-304754EN300-64165O11240F053331Z606249182
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