1(2H)-Naphthalenone, 3,4-dihydro-6,7-dihydroxy-
Basic information
- CAS
54549-75-6- Standard SMILES
O=C1CCCc2cc(O)c(O)cc21- InChIKey
POBJBWINAQGAEP-UHFFFAOYSA-N- Molecular formula
- C10H10O3
- Average molar mass
- 178.18 g/mol
- Monoisotopic mass
- 178.06299418
Names & identifiers
- Preferred name
- 1(2H)-Naphthalenone, 3,4-dihydro-6,7-dihydroxy-
- IUPAC
- 6,7-dihydroxy-3,4-dihydro-2H-naphthalen-1-one
- English name
- 3,4-Dihydro-6,7-dihydroxy-1(2H)-naphthalenone
- Molecular formula
- C10H10O3
- Molecular weight
- 178.18
Names & synonyms
54549-75-61(2H)-Naphthalenone, 3,4-dihydro-6,7-dihydroxy-DTXSID60345020RefChem:211522DTXCID70296094POBJBWINAQGAEP-UHFFFAOYSA-N6,7-dihydroxy-3,4-dihydronaphthalen-1(2H)-one6,7-dihydroxy-3,4-dihydro-2H-naphthalen-1-one6,7-dihydroxytetralone3,4-Dihydro-6,7-dihydroxy-1(2H)-naphthalenoneSCHEMBL423181AKOS006373064
Show more names
DB-293860Y141836,7-dihydroxy-3,4-dihydro-2h-naphthalene-1-one6,7-Dihydroxy-3,4-dihydro-1(2H)-naphthalenone #
Database identifiers
- CAS
54549-75-6- PubChem CID
- 601207
- DTXSID
DTXSID60345020- Nikkaji
- J102.639I
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 214
Physicochemical properties
- Melting point
- 195 °C · 195 °C(Solv: water (7732-18-5))
- Boiling point
- 434.4 · 434.4±45.0 °C(Predicted)
- Density
- 1.374 · 1.374±0.06 g/cm3(Predicted)
- pka
- 8.07 · 8.07±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Suppliers
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Related reactions
2 records
Compound notes
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