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3,8-Dimethoxy-2-naphthoic acid (HCID 19079031)|Huagongshe
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Compound
3,8-Dimethoxy-2-naphthoic acid
HCID
19079031
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Basic information
Names & identifiers
Properties
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Compound notes
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Basic information
Standard SMILES
COc1cc2cccc(OC)c2cc1C(=O)O
InChIKey
RVJYYSODCHQATJ-UHFFFAOYSA-N
Molecular formula
C13H12O4
Average molar mass
232.23 g/mol
Names & identifiers
Preferred name
3,8-Dimethoxy-2-naphthoic acid
IUPAC
3,8-dimethoxynaphthalene-2-carboxylic acid
Names & synonyms
SCHEMBL8126323
3,8-dimethoxy-2-naphthoic acid
RVJYYSODCHQATJ-UHFFFAOYSA-N
Database identifiers
PubChem CID
19079031
Properties
Computed structural properties
XLogP
2.6
Topological polar surface area
55.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
17
Formal charge
0
Complexity
279
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Related reactions
2 records
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
321325
As product
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID
963993
As product
uspto-grants-1998_06
Compound notes
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