CC1=CC=CC=C1.O
CAS: 112270-21-0
Name: toluene;hydrate
SMILES: CC1=CC=CC=C1.O

Molecular Processing

Molecular formula
C7H10O
Molecular weight
110.16
Exact mass
110.0732
XLogP
1.17
TPSA
31.5
H-bond donors
0
H-bond acceptors
0
Rotatable bonds
0
Heavy atoms
8
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
0.143
Molar refractivity
34.79

Supplementary Information

InChIKey: CMQCNTNASCDNGR-UHFFFAOYSA-N
Synonyme
toluene watertoluene-waterwater tolueneH2O toluenetoluene H2OPhMe H2OToluene--oxygen (1/1)112270-21-0SCHEMBL300332SCHEMBL525532SCHEMBL27278008DTXSID60764116CMQCNTNASCDNGR-UHFFFAOYSA-N
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