2-[3,4-Bis(methyloxy)phenyl]-4-(methyloxy)-3-oxobutanenitrile

HCID 66490625
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Basic information

Standard SMILES
COCC(=O)C(C#N)c1ccc(OC)c(OC)c1
InChIKey
LXFWPVXCXWCGOW-UHFFFAOYSA-N
Molecular formula
C13H15NO4
Average molar mass
249.26 g/mol

Names & identifiers

Preferred name
2-[3,4-Bis(methyloxy)phenyl]-4-(methyloxy)-3-oxobutanenitrile
IUPAC
2-(3,4-dimethoxyphenyl)-4-methoxy-3-oxobutanenitrile

Names & synonyms

2-[3,4-bis(methyloxy)phenyl]-4-(methyloxy)-3-oxobutanenitrile838855-55-3SCHEMBL1055546LXFWPVXCXWCGOW-UHFFFAOYSA-NDB-292510

Database identifiers

PubChem CID
66490625

Properties

Computed structural properties

XLogP
1.4
Topological polar surface area
68.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
18

Related reactions

3 records
New reaction record

Linked notes

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