Basic information
- CAS
5656-90-6- Standard SMILES
O=C1OC(O)c2cccc3cccc1c23- InChIKey
IKHBRFXMNHCNDC-UHFFFAOYSA-N- Molecular formula
- C12H8O3
- Average molar mass
- 200.19 g/mol
- Monoisotopic mass
- 200.04734411
Names & identifiers
- Preferred name
- 1H,3H-Naphtho[1,8-cd]pyran-1-one, 3-hydroxy-
- IUPAC
- 4-hydroxy-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-2-one
- English name
- 9-Hydroxy-1,8-naphthalide
- Molecular formula
- C12H8O3
- Molecular weight
- 200.19
Names & synonyms
5656-90-61H,3H-Naphtho[1,8-cd]pyran-1-one, 3-hydroxy-3-Hydroxy-1H,3H-naphtho[1,8-cd]pyran-1-oneEINECS 227-104-0NSC 195925DTXSID908841793-Hydroxy-1H,3H-naphtho(1,8-cd)pyran-1-one1H,3H-Naphtho(1,8-cd)pyran-1-one, 3-hydroxy-1-Naphthalenecarboxylic acid, 8-(dihydroxymethyl)-, delta-lactoneRefChem:437751DTXCID001023639227-104-0
Show more names
3-Hydroxy-3H-benzo[de]isochromen-1-one
9-Hydroxy-1,8-naphthalideMLS003107044NSC-195925NSC195925LPF42P8H3CCHEMBL1873466SCHEMBL17769033IKHBRFXMNHCNDC-UHFFFAOYSA-N
Database identifiers
- CAS
5656-90-6- PubChem CID
- 99733
- DTXSID
DTXSID90884179- ChEMBL
CHEMBL1873466- UNII
- LPF42P8H3C
- EC Number
- 227-104-0
- Nikkaji
- J225.076D
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 276
Physicochemical properties
- EPA Substance Registry System
- 1 H,3H-Naphtho[1,8-cd]pyran-1-one, · 1H,3H-Naphtho[1,8-cd]pyran-1-one, 3-hydroxy- (5656-90-6)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1H,3H-Naphtho[1,8-cd]pyran-1-one, 3-hydroxy-: INACTIVE
Suppliers2 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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