2,5-Dimethoxy-4-formylbenzoic acid
Basic information
- CAS
94930-47-9- Standard SMILES
COc1cc(C(=O)O)c(OC)cc1C=O- InChIKey
LMINRADLQBBPIF-UHFFFAOYSA-N- Molecular formula
- C10H10O5
- Average molar mass
- 210.18 g/mol
- Monoisotopic mass
- 210.05282342
Names & identifiers
- Preferred name
- 2,5-Dimethoxy-4-formylbenzoic acid
- IUPAC
- 4-formyl-2,5-dimethoxybenzoic acid
- English name
- 2,5-Dimethoxy-4-formylbenzoic acid
- Molecular formula
- C10H10O5
- Molecular weight
- 210.18
Names & synonyms
2,5-Dimethoxy-4-formylbenzoic acid94930-47-94-formyl-2,5-dimethoxybenzoic acidBenzoic acid, 4-formyl-2,5-dimethoxy-MFCD24490035DTXSID8012963134-formyl-2,5-dimethoxy-benzoic acidAS-96290CS-0195948E92864F633112
Database identifiers
- CAS
94930-47-9- PubChem CID
- 13416645
- DTXSID
DTXSID801296313
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 72.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 240
Physicochemical properties
- storage temp.
- 2 · 2-8°C, stored under nitrogen
- Appearance
- Light yellow to green yellow Solid
- 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.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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