Acetonitrile--water (1/1)

HCID 18373917CAS 128870-13-3
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Basic information

Standard SMILES
CC#N.O
InChIKey
PBCJIPOGFJYBJE-UHFFFAOYSA-N
Molecular formula
C2H5NO
Average molar mass
59.07 g/mol
Monoisotopic mass
59.03711378

Names & identifiers

Preferred name
Acetonitrile--water (1/1)
IUPAC
acetonitrile;hydrate

Names & synonyms

128870-13-3Acetonitrile--water (1/1)DTXSID00593220RefChem:316861DTXCID20543984acetonitrile wateracetonitril wateractonitrile wateracetonitrile-watercyanomethane waterMeCN waterwater acetonitrile
Show more names
water MeCNacetonitrile H2OACN waterH2O acetonitrilewater ACNwater CH3CNCH3CN WaterDI water acetonitrile

Database identifiers

CAS
128870-13-3
PubChem CID
18373917
DTXSID
DTXSID00593220

Properties

Computed structural properties

Topological polar surface area
24.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
0
Heavy atoms
4

Related reactions

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Linked notes

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