CO.C1=CC=CC=C1
Name: benzene;methanol
SMILES: CO.C1=CC=CC=C1

Molecular Processing

Molecular formula
C7H10O
Molecular weight
110.16
Exact mass
110.0732
XLogP
1.3
TPSA
20.23
H-bond donors
1
H-bond acceptors
1
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
34.58

Supplementary Information

InChIKey: KGYGBOORGRYDGQ-UHFFFAOYSA-N
Synonyms
benzene methanolmethanol+benzenebenzene MeOHMeOH benzenebenzene CH3OHPhH MeOHbenzene methyl alcoholmethyl alcohol benzeneC6H6 MeOHSCHEMBL157750KGYGBOORGRYDGQ-UHFFFAOYSA-N
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Involved in 77 reactions→

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