5-Formyl-2-methylfuran-3-carboxylic acid
Basic information
- CAS
1125-59-3- Standard SMILES
Cc1oc(C=O)cc1C(=O)O- InChIKey
FSEZQVUZNUMBDP-UHFFFAOYSA-N- Molecular formula
- C7H6O4
- Average molar mass
- 154.12 g/mol
- Monoisotopic mass
- 154.02660867
Names & identifiers
- Preferred name
- 5-Formyl-2-methylfuran-3-carboxylic acid
- IUPAC
- 5-formyl-2-methylfuran-3-carboxylic acid
Names & synonyms
5-formyl-2-methylfuran-3-carboxylic acid1125-59-3RefChem:536035976-147-8SCHEMBL3907975BAA12559MFCD20638665AKOS0340986095-formyl-2-methylfuran-3-carboxylicacidSY455302EN300-143586H81922
Show more names
Z1262512728
Database identifiers
- CAS
1125-59-3- PubChem CID
- 85540267
- EC Number
- 976-147-8
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 67.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 177
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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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