Basic information
- CAS
54725-00-7- Standard SMILES
COc1cc(O)c2c(c1O)C(=O)C(OC(C)=O)=CC2=O- InChIKey
WKDCTCOODWUCNC-UHFFFAOYSA-N- Molecular formula
- C13H10O7
- Average molar mass
- 278.21 g/mol
- Monoisotopic mass
- 278.04265265
Names & identifiers
- Preferred name
- (5,8-Dihydroxy-7-methoxy-1,4-dioxonaphthalen-2-yl) acetate
- IUPAC
- (5,8-dihydroxy-7-methoxy-1,4-dioxonaphthalen-2-yl) acetate
- English name
- 2-(Acetyloxy)-5,8-dihydroxy-7-methoxynaphthalene-1,4-dione
- Molecular formula
- C13H10O7
- Molecular weight
- 278.21
Names & synonyms
54725-00-7(5,8-dihydroxy-7-methoxy-1,4-dioxonaphthalen-2-yl) acetateDTXSID80346958RefChem:209336DTXCID90298030WKDCTCOODWUCNC-UHFFFAOYSA-N2-(Acetyloxy)-5,8-dihydroxy-7-methoxynaphthalene-1,4-dione1,4-Naphthalenedione, 2-(acetyloxy)-5,8-dihydroxy-7-methoxy-5,8-dihydroxy-7-methoxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl acetateDB-3127525,8-Dihydroxy-7-methoxy-1,4-dioxo-1,4-dihydro-2-naphthalenyl acetate #
Database identifiers
- CAS
54725-00-7- PubChem CID
- 616709
- DTXSID
DTXSID80346958- Nikkaji
- J143.340G
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 481
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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