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2-Methoxynaphthalene-1-carboxylate

HCID 6950780
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1ccc2ccccc2c1C(=O)[O-]
InChIKey
OSTYZAHQVPMQHI-UHFFFAOYSA-M
Molecular formula
C12H9O3-
Average molar mass
201.2 g/mol

Names & identifiers

Preferred name
2-Methoxynaphthalene-1-carboxylate
IUPAC
2-methoxynaphthalene-1-carboxylate

Database identifiers

PubChem CID
6950780

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
49.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
15
Formal charge
-1
Complexity
234

Related reactions

1 records
New reaction record
HRID 1567290 reaction equation
HRID 1567290As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

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