Basic information
- CAS
21086-65-7- Standard SMILES
COC1=CC(=O)C(=O)C=C1OC- InChIKey
DCNHYWSNHGOKHN-UHFFFAOYSA-N- Molecular formula
- C8H8O4
- Average molar mass
- 168.15 g/mol
- Monoisotopic mass
- 168.04225873
Names & identifiers
- Preferred name
- 4,5-Dimethoxy-o-benzoquinone
- IUPAC
- 4,5-dimethoxycyclohexa-3,5-diene-1,2-dione
- English name
- 4,5-Dimethoxy-1,2-benzoquinone
- Molecular formula
- C8H8O4
- Molecular weight
- 168.15
Names & synonyms
4,5-Dimethoxy-1,2-benzoquinone21086-65-74,5-Dimethoxy-o-benzoquinone4,5-dimethoxycyclohexa-3,5-diene-1,2-dioneMFCD000163703,5-Cyclohexadiene-1,2-dione, 4,5-dimethoxy-NSC-121600NSC1216004,5-dimethoxy-3,5-cyclohexadiene-1,2-dioneEP7L5A4T5CCHEMBL298111SCHEMBL3417111
Show more names
3,2-dione, 4,5-dimethoxy-o-Benzoquinone, 4,5-dimethoxy-DTXSID10175314EINECS 244-205-54,5-Dimethoxybenzo-1,2-quinone #SBB019278STK523239AKOS000298782
Database identifiers
- CAS
21086-65-7- PubChem CID
- 88786
- DTXSID
DTXSID10175314- ChEMBL
CHEMBL298111- UNII
- EP7L5A4T5C
- EC Number
- 244-205-5
- Nikkaji
- J83.058E
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 255
Physicochemical properties
- Melting point
- 226 · 226-230°C
- FDA UNII
- 7 L5A4T5C · EP7L5A4T5C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
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
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-36/37/39
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers5 total
上海鑫圭生物科技有限公司15121041756 · [email protected]
郑州阿尔法化工有限公司0371-53778726 18003825608 · [email protected]
陕西缔都医药化工有限公司029-81154043 17391733319 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
2 records
Compound notes
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