Basic information
- CAS
832740-89-3- Standard SMILES
Cc1ccc(OCc2ccc(C(=O)O)o2)cc1- InChIKey
DHFHOLRIPOTVQX-UHFFFAOYSA-N- Molecular formula
- C13H12O4
- Average molar mass
- 232.23 g/mol
- Monoisotopic mass
- 232.07355886
Names & identifiers
- Preferred name
- 5-((4-Methylphenoxy)methyl)furan-2-carboxylic acid
- IUPAC
- 5-[(4-methylphenoxy)methyl]furan-2-carboxylic acid
Names & synonyms
5-[(4-methylphenoxy)methyl]furan-2-carboxylic acid5-[(4-Methylphenoxy)methyl]-2-furancarboxylic acid5-((4-Methylphenoxy)methyl)-2-furancarboxylic acid5-((4-Methylphenoxy)methyl)furan-2-carboxylic acidRefChem:528714867-912-6832740-89-35-[(4-methylphenoxy)methyl]-2-furoic acid5-(4-methylphenoxymethyl)furan-2-carboxylic acidMFCD03421871CHEMBL4126931DTXSID401230743
Show more names
HIB74089SBB020748AKOS000200736NS-03022ST45092459EN300-288285-(4-methylphenoxymethyl)furan-2-carboxylicacidZ235362691
Database identifiers
- CAS
832740-89-3- PubChem CID
- 4682005
- DTXSID
DTXSID401230743- ChEMBL
CHEMBL4126931- EC Number
- 867-912-6
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 59.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 258
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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