CCO.CC1=CC=CC=C1
Name: ethanol;toluene
SMILES: CCO.CC1=CC=CC=C1

Molecular Processing

Molecular formula
C9H14O
Molecular weight
138.21
Exact mass
138.1045
XLogP
1.99
TPSA
20.23
H-bond donors
1
H-bond acceptors
1
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
1
Covalent units
2
Fraction Csp3
0.333
Molar refractivity
43.94

Supplementary Information

InChIKey: NJSUFZNXBBXAAC-UHFFFAOYSA-N
Synonyme
ethanol toluenetoluene ethanolEtOH toluenetoluene EtOHEtOH PhMePhMe EtOHethyl alcohol tolueneEtOH CH3PhPhCH3 EtOHSCHEMBL20027SCHEMBL10820821NJSUFZNXBBXAAC-UHFFFAOYSA-N
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