6,7-Dimethoxy-3-methyl-1-benzofuran-2-carboxylic acid
Basic information
- CAS
63445-53-4- Standard SMILES
COc1ccc2c(C)c(C(=O)O)oc2c1OC- InChIKey
QPCXEGHLFLPDSP-UHFFFAOYSA-N- Molecular formula
- C12H12O5
- Average molar mass
- 236.22 g/mol
- Monoisotopic mass
- 236.06847348
Names & identifiers
- Preferred name
- 6,7-Dimethoxy-3-methyl-1-benzofuran-2-carboxylic acid
- IUPAC
- 6,7-dimethoxy-3-methyl-1-benzofuran-2-carboxylic acid
- English name
- CHEMBRDG-BB 5110082
- Molecular formula
- C12H12O5
- Molecular weight
- 236.22
Names & synonyms
63445-53-46,7-dimethoxy-3-methyl-1-benzofuran-2-carboxylic acidDTXSID00353548RefChem:306215DTXCID00304611891-692-06,7-Dimethoxy-3-methylbenzofuran-2-carboxylic acidMFCD00510084CBMicro_0050486,7-dimethoxy-3-methyl-benzofuran-2-carboxylic acidOprea1_535018SCHEMBL11743904
Show more names
CHEMBRDG-BB 51100822-Benzofurancarboxylic acid, 6,7-dimethoxy-3-methyl-6,7-dimethoxy-3-methyl-1-benzofuran-2-carboxylic acid(SALTDATA: FREE)
NCA44553SMSF0003356AKOS022184429CB07082BS-38285BIM-0004896.P001DB-186147CS-0367285
Database identifiers
- CAS
63445-53-4- PubChem CID
- 744757
- DTXSID
DTXSID00353548- EC Number
- 891-692-0
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 68.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 293
Physicochemical properties
- Melting point
- 188 °C · 188 °C
- Boiling point
- 387 · 387.0±37.0 °C(Predicted)
- Density
- 1.289 · 1.289±0.06 g/cm3(Predicted)
- pka
- 2.9 · 2.90±0.30(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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