5-(1-Cyano-1-methylethyl)-2-isopropoxybenzaldehyde

HCID 19066498
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Basic information

Standard SMILES
CC(C)Oc1ccc(C(C)(C)C#N)cc1C=O
InChIKey
OGHBJDWUFDRRHI-UHFFFAOYSA-N
Molecular formula
C14H17NO2
Average molar mass
231.29 g/mol

Names & identifiers

Preferred name
5-(1-Cyano-1-methylethyl)-2-isopropoxybenzaldehyde
IUPAC
2-(3-formyl-4-propan-2-yloxyphenyl)-2-methylpropanenitrile

Names & synonyms

SCHEMBL7584586OGHBJDWUFDRRHI-UHFFFAOYSA-N5-(1-Cyano-1-methylethyl)-2-isopropoxybenzaldehyde

Database identifiers

PubChem CID
19066498

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
50.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
17

Related reactions

4 records
New reaction record

Compound notes

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