Basic information
- CAS
53300-36-0- Standard SMILES
O=C1OC(=O)c2c1ccc1c(O)cccc21- InChIKey
GXTHFPLTRVFHTD-UHFFFAOYSA-N- Molecular formula
- C12H6O4
- Average molar mass
- 214.17 g/mol
- Monoisotopic mass
- 214.02660867
Overview
inhibitor of coupled oxidative phosphorylation; derivative of dibenzanthracene; structure
Names & identifiers
- Preferred name
- 5-Hydroxynaphthalenedicarboxylic anhydride
- IUPAC
- 6-hydroxybenzo[e][2]benzofuran-1,3-dione
- English name
- Naphtho[1,2-c]furan-1,3-dione, 6-hydroxy- (9CI)
- Molecular formula
- C12H6O4
- Molecular weight
- 214.17
Names & synonyms
5-Hydroxynaphthalenedicarboxylic anhydride53300-36-0NTC4YK2HKH6-Hydroxynaphtho(1,2-c)furan-1,3-dioneNSC-148908DTXSID402014536-hydroxynaphtho[1,2-c]furan-1,3-dioneRefChem:102918DTXCID401239446-hydroxybenzo[e][2]benzofuran-1,3-dioneNAPHTHO(1,2-C)FURAN-1,3-DIONE, 6-HYDROXY-NAPHTHO[1,2-C]FURAN-1,3-DIONE, 6-HYDROXY-
Show more names
Naphtho[1,2-c]furan-1,3-dione, 6-hydroxy- (9CI)
NSC148908NSC 148908UNII-NTC4YK2HKHSCHEMBL21874442SCHEMBL29902429DB-3270311,2-NAPHTHALENEDICARBOXYLIC ANHYDRIDE, 5-HYDROXY-
Database identifiers
- CAS
53300-36-0- PubChem CID
- 98573
- DTXSID
DTXSID40201453- UNII
- NTC4YK2HKH
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 338
Physicochemical properties
- FDA UNII
- 4 YK2HKH · NTC4YK2HKH
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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