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Methyl 4,6-dimethoxynaphthalene-1-carboxylate

HCID 13123045
NotesReactions

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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
84533-49-3
Standard SMILES
COC(=O)c1ccc(OC)c2cc(OC)ccc12
InChIKey
RKWJGQUAYXKOGJ-UHFFFAOYSA-N
Molecular formula
C14H14O4
Average molar mass
246.26 g/mol
Monoisotopic mass
246.08920893

Names & identifiers

Preferred name
Methyl 4,6-dimethoxynaphthalene-1-carboxylate
IUPAC
methyl 4,6-dimethoxynaphthalene-1-carboxylate

Names & synonyms

Methyl 4,6-dimethoxynaphthalene-1-carboxylate84533-49-3SCHEMBL10391402DTXSID80519680RKWJGQUAYXKOGJ-UHFFFAOYSA-N4,6-dimethoxy-1-naphthalenecarboxylic acid methyl ester

Database identifiers

CAS
84533-49-3
PubChem CID
13123045
DTXSID
DTXSID80519680

Properties

Computed structural propertiesFilling in

XLogP
3
Topological polar surface area
44.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
18
Formal charge
0
Complexity
292

Related reactions

6 records
New reaction record
HRID 247199 reaction equation
HRID 247199As productuspto-grants-1987_11
HRID 745784 reaction equation
HRID 745784As productuspto-grants-1986_07
HRID 1589230 reaction equation
HRID 1589230As productuspto-grants-1986_02
HRID 1709054 reaction equation
HRID 1709054As productuspto-grants-1990_08
HRID 1904098 reaction equation
HRID 1904098As productuspto-grants-1984_03
HRID 2349598 reaction equation
HRID 2349598As productTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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