p-Benzoquinone, trimethoxy-
Basic information
- CAS
3117-05-3- Standard SMILES
COC1=CC(=O)C(OC)=C(OC)C1=O- InChIKey
OIMLWOWVDNEGEN-UHFFFAOYSA-N- Molecular formula
- C9H10O5
- Average molar mass
- 198.17 g/mol
- Monoisotopic mass
- 198.05282342
Names & identifiers
- Preferred name
- p-Benzoquinone, trimethoxy-
- IUPAC
- 2,3,5-trimethoxycyclohexa-2,5-diene-1,4-dione
Names & synonyms
p-Benzoquinone, trimethoxy-3117-05-3DTXSID90285965RefChem:169286DTXCID80237115OIMLWOWVDNEGEN-UHFFFAOYSA-N2,3,5-trimethoxycyclohexa-2,5-diene-1,4-dioneMLS002608533SMR0015272802,3,5-trimethoxy-p-benzoquinoneNSC43333cid_238795
Show more names
SCHEMBL3413590CHEMBL1706640BDBM80743HMS3091M04NSC-433332,3,5-Trimethoxybenzo-1,4-quinone #
Database identifiers
- CAS
3117-05-3- PubChem CID
- 238795
- DTXSID
DTXSID90285965- ChEMBL
CHEMBL1706640- Nikkaji
- J878.914B
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 337
Experimental & physicochemical properties
LogP0.22
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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