1,3,8-Trihydroxynaphthalene

HCID 439428
NotesReactions

Completing data — usually done within a minute

Substructure searchFind similar structures

Basic information

CAS
7124-49-4
Standard SMILES
Oc1cc(O)c2c(O)cccc2c1
InChIKey
USWUTUCXLQBQCG-UHFFFAOYSA-N
Molecular formula
C10H8O3
Average molar mass
176.17 g/mol
Monoisotopic mass
176.04734412

Overview

Naphthalene-1,3,8-triol is a naphthalenetriol that is naphthalene substituted by hydroxy groups at positions 1, 3 and 8.

Names & identifiers

Preferred name
1,3,8-Trihydroxynaphthalene
IUPAC
naphthalene-1,3,8-triol

Names & synonyms

1,3,8-Trihydroxynaphthalenenaphthalene-1,3,8-triol7124-49-4CHEBI:18393DTXSID90331411RefChem:72416DTXCID402825051,3,8-NaphthalenertriolC01173SCHEMBL2023306SCHEMBL7305949SCHEMBL29389056
Show more names
USWUTUCXLQBQCG-UHFFFAOYSA-NNS00076817Q27103047

Database identifiers

CAS
7124-49-4
PubChem CID
439428
DTXSID
DTXSID90331411
ChEBI
CHEBI:18393
Nikkaji
J634.181K

Properties

Computed structural propertiesFilling in

XLogP
2.7
Topological polar surface area
60.7 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
3
Rotatable bonds
0
Heavy atoms
13

Related reactions

2 records
New reaction record

Compound notes

Loading…