Basic information
- CAS
3718-80-7- Standard SMILES
CC(=O)c1c(O)c(O)c2c(c1O)C(O)=CC(=O)C2=O- InChIKey
XCJXHYOEVKKMGD-UHFFFAOYSA-N- Molecular formula
- C12H8O7
- Average molar mass
- 264.19 g/mol
- Monoisotopic mass
- 264.02700259
Names & identifiers
- Preferred name
- 6-Acetyl-4,5,7,8-tetrahydroxynaphthalene-1,2-dione
- IUPAC
- 6-acetyl-4,5,7,8-tetrahydroxynaphthalene-1,2-dione
- English name
- 2-Acetyl-3,5,6,8-tetrahydroxy-1,4-naphthoquinone
- Molecular formula
- C12H8O7
- Molecular weight
- 264.19
Names & synonyms
6-acetyl-4,5,7,8-tetrahydroxynaphthalene-1,2-dioneDTXSID40958374RefChem:1073765DTXCID701386282Spinochrome ASpinochrom A3718-80-71,4-Naphthalenedione, 2-acetyl-3,5,6,8-tetrahydroxy-2-Acetyl-3,6-dihydroxynaphthazarin2-Acetyl-3,5,6,8-tetrahydroxy-1,4-naphthoquinone1,4-Naphthoquinone, 2-acetyl-3,5,6,8-tetrahydroxy-SCHEMBL10494255
Show more names
SCHEMBL31467748SCHEMBL31467750UBUDVMJJWVUMCC-UHFFFAOYSA-N2-Acetyl-3,5,6,8-tetrahydroxynaphthoquinone #
Database identifiers
- CAS
3718-80-7- PubChem CID
- 77307
- DTXSID
DTXSID40958374- Nikkaji
- J13.319A
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 480
Physicochemical properties
- Boiling point
- 589.6 · 589.6±50.0 °C(Predicted)
- Density
- 1.859 · 1.859±0.06 g/cm3(Predicted)
- pka
- 1.68 · 1.68±0.58(Predicted)
Chemistry & industry
Suppliers1 total
河南威梯希化工科技有限公司0371-53370800 18037197114 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…