4,5-Diethylfuran-2-carboxylic acid
Basic information
- CAS
84521-65-3- Standard SMILES
CCc1cc(C(=O)O)oc1CC- InChIKey
JDBZHQQEXRAJNQ-UHFFFAOYSA-N- Molecular formula
- C9H12O3
- Average molar mass
- 168.19 g/mol
- Monoisotopic mass
- 168.07864424
Names & identifiers
- Preferred name
- 4,5-Diethylfuran-2-carboxylic acid
- IUPAC
- 4,5-diethylfuran-2-carboxylic acid
Names & synonyms
4,5-diethylfuran-2-carboxylic acid84521-65-3RefChem:507706833-664-2MFCD206541284,5-Diethyl-2-furoic acidSCHEMBL277608354,5-diethylfuran-2-carboxylicacidJDA52165AKOS026727504CS-0222578EN300-111731
Show more names
Z1262544041
Database identifiers
- CAS
84521-65-3- PubChem CID
- 71756541
- EC Number
- 833-664-2
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 50.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 167
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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