2-Acetyl-3-hydroxy-5-methoxycyclohexa-2,5-diene-1,4-dione
Basic information
- CAS
7507-87-1- Standard SMILES
COC1=CC(=O)C(C(C)=O)=C(O)C1=O- InChIKey
ODTMCYANAUQYCN-UHFFFAOYSA-N- Molecular formula
- C9H8O5
- Average molar mass
- 196.16 g/mol
- Monoisotopic mass
- 196.03717335
Names & identifiers
- Preferred name
- 2-Acetyl-3-hydroxy-5-methoxycyclohexa-2,5-diene-1,4-dione
- IUPAC
- 2-acetyl-3-hydroxy-5-methoxycyclohexa-2,5-diene-1,4-dione
Names & synonyms
7507-87-1NSC 4014402-acetyl-3-hydroxy-5-methoxycyclohexa-2,5-diene-1,4-dioneNSC401440DTXSID70322504NSC-401440
Database identifiers
- CAS
7507-87-1- PubChem CID
- 344481
- DTXSID
DTXSID70322504
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 80.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 386
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…