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3-Propoxynaphthalene-2-carboxylic acid

HCID 22016156
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Basic information

CAS
89574-74-3
Standard SMILES
CCCOc1cc2ccccc2cc1C(=O)O
InChIKey
IDZCHSCKSJDRLM-UHFFFAOYSA-N
Molecular formula
C14H14O3
Average molar mass
230.26 g/mol
Monoisotopic mass
230.0942943

Names & identifiers

Preferred name
3-Propoxynaphthalene-2-carboxylic acid
IUPAC
3-propoxynaphthalene-2-carboxylic acid

Names & synonyms

3-Propoxynaphthalene-2-carboxylic acid89574-74-3SCHEMBL868483DTXSID40621531AKOS000151928

Database identifiers

CAS
89574-74-3
PubChem CID
22016156
DTXSID
DTXSID40621531

Properties

Computed structural properties

XLogP
3.6
Topological polar surface area
46.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
17
Formal charge
0
Complexity
264

Related reactions

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Compound notes

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