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Methyl 7-cyano-2-naphthoate

HCID 23359864
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
COC(=O)c1ccc2ccc(C#N)cc2c1
InChIKey
RVRWMZHOIDLSOQ-UHFFFAOYSA-N
Molecular formula
C13H9NO2
Average molar mass
211.22 g/mol
Monoisotopic mass
211.06332853

Names & identifiers

Preferred name
Methyl 7-cyano-2-naphthoate
IUPAC
methyl 7-cyanonaphthalene-2-carboxylate

Names & synonyms

methyl 7-cyano-2-naphthoateSCHEMBL3558563RVRWMZHOIDLSOQ-UHFFFAOYSA-N

Database identifiers

PubChem CID
23359864

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
50.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
16
Formal charge
0
Complexity
317

Related reactions

3 records
New reaction record
HRID 667639 reaction equation
HRID 667639As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 1147174 reaction equation
HRID 1147174As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 2238421 reaction equation
HRID 2238421As reactantuspto-grants-2010_05

Compound notes

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