3-Methoxy-2-(methoxymethyl)-2-propenenitrile

HCID 74158

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Basic information

CAS: 1608-82-8
Standard SMILES: COC=C(C#N)COC
InChIKey: QZFRWRSOUHEOFM-UHFFFAOYSA-N
Molecular formula: C6H9NO2
Average molar mass: 127.14 g/mol
Monoisotopic mass: 127.06332853

Names & identifiers

Preferred name: 3-Methoxy-2-(methoxymethyl)-2-propenenitrile
IUPAC: 3-methoxy-2-(methoxymethyl)prop-2-enenitrile

Names & synonyms

DTXSID701255401SCHEMBL103387942-METHOXYMETHYL-3-METHOXYPROPENENITRILE, MIXTURE OF CIS AND TRANS,97%3-Methoxy-2-(methoxymethyl)-2-propenenitrile3-METHOXY-2-(METHOXYMETHYL)PROP-2-ENENITRILE3-Methoxy-2-(methoxymethyl)acrylonitrileMixture of Cis and Trans

Database identifiers

CAS: 1608-82-8
PubChem CID: 74158
DTXSID: DTXSID701255401

Properties

Computed structural properties

XLogP: -0.1
Topological polar surface area: 42.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 9
Formal charge: 0
Complexity: 142

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