5,6-Dihydroxynaphthalene-2-carboxylic acid
Basic information
- CAS
182205-62-5- Standard SMILES
O=C(O)c1ccc2c(O)c(O)ccc2c1- InChIKey
ICGAFQWZWKIUMN-UHFFFAOYSA-N- Molecular formula
- C11H8O4
- Average molar mass
- 204.18 g/mol
- Monoisotopic mass
- 204.04225873
Names & identifiers
- Preferred name
- 5,6-Dihydroxynaphthalene-2-carboxylic acid
- IUPAC
- 5,6-dihydroxynaphthalene-2-carboxylic acid
- English name
- 2-Naphthalenecarboxylic acid, 5,6-dihydroxy- (9CI)
- Molecular formula
- C11H8O4
- Molecular weight
- 204.18
Names & synonyms
182205-62-55,6-dihydroxynaphthalene-2-carboxylic acid5,6-Dihydroxy-2-naphthoic acidNSC689403CHEMBL185505,6-Dihydroxy-2-naphthalenecarboxylic acid2-Naphthalenecarboxylic acid, 5,6-dihydroxy-2-Naphthalenecarboxylic acid, 5,6-dihydroxy- (9CI)SCHEMBL3391145DTXSID70327817BDBM50057334NSC-689403
Show more names
NCI60_032183DB-2705935,6-Dihydroxy-naphthalene-2-carboxylic acid
Database identifiers
- CAS
182205-62-5- PubChem CID
- 390997
- DTXSID
DTXSID70327817- ChEMBL
CHEMBL18550- Nikkaji
- J1.107.402B
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 253
Physicochemical properties
- Boiling point
- 463.3 · 463.3±30.0 °C(Predicted)
- Density
- 1.535 · 1.535±0.06 g/cm3(Predicted)
- pka
- 4.27 · 4.27±0.30(Predicted)
Chemistry & industry
Applications
Uses5,6-Dihydroxy-2-naphthalenecarboxylic Acid is a human immunodeficiency virus type 1 (HIV-1) integrase inhibitor.
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Related reactions
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Compound notes
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