2-Dimethoxymethyl-3-(3-pyridyl)acrylonitrile hydrate

HCID 69747673
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Basic information

Standard SMILES
COC(OC)C(C#N)=Cc1cccnc1.O
InChIKey
RNSYUDRSCXHUIX-UHFFFAOYSA-N
Molecular formula
C11H14N2O3
Average molar mass
222.24 g/mol

Names & identifiers

Preferred name
2-Dimethoxymethyl-3-(3-pyridyl)acrylonitrile hydrate
IUPAC
2-(dimethoxymethyl)-3-pyridin-3-ylprop-2-enenitrile;hydrate

Names & synonyms

SCHEMBL6344904RNSYUDRSCXHUIX-UHFFFAOYSA-N2-Dimethoxymethyl-3-(3-pyridyl)acrylonitrile hydrate

Database identifiers

PubChem CID
69747673

Properties

Computed structural properties

Topological polar surface area
56.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
16

Related reactions

1 records
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Compound notes

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