Toluene water

HCID 22272177CAS 112270-21-0
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Basic information

Standard SMILES
Cc1ccccc1.O
InChIKey
CMQCNTNASCDNGR-UHFFFAOYSA-N
Molecular formula
C7H10O
Average molar mass
110.15 g/mol

Names & identifiers

Preferred name
Toluene water
IUPAC
toluene;hydrate

Names & synonyms

toluene watertoluene-waterwater tolueneH2O toluenetoluene H2OPhMe H2OToluene--oxygen (1/1)112270-21-0SCHEMBL300332SCHEMBL525532SCHEMBL27278008DTXSID60764116
Show more names
CMQCNTNASCDNGR-UHFFFAOYSA-N

Database identifiers

CAS
112270-21-0
PubChem CID
22272177

Properties

Computed structural properties

Topological polar surface area
1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
0
Heavy atoms
8

Related reactions

219 records
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Linked notes

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