Methyl 5-cyano-4-cyclobutyl-2-methylbenzoate

HCID 68288299
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Basic information

Standard SMILES
COC(=O)c1cc(C#N)c(C2CCC2)cc1C
InChIKey
IMRWRGZNBGWXHV-UHFFFAOYSA-N
Molecular formula
C14H15NO2
Average molar mass
229.27 g/mol

Names & identifiers

Preferred name
Methyl 5-cyano-4-cyclobutyl-2-methylbenzoate
IUPAC
methyl 5-cyano-4-cyclobutyl-2-methylbenzoate

Names & synonyms

methyl 5-cyano-4-cyclobutyl-2-methylbenzoate1399181-89-5SCHEMBL12488184SCHEMBL31312529IMRWRGZNBGWXHV-UHFFFAOYSA-NDB-209417

Database identifiers

PubChem CID
68288299

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
50.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
17

Related reactions

8 records
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Compound notes

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