3-[5-(4-Methoxyphenyl)furan-2-yl]propanoic acid
Basic information
- CAS
24098-77-9- Standard SMILES
COc1ccc(-c2ccc(CCC(=O)O)o2)cc1- InChIKey
ZKWNOAWLDSIWEE-UHFFFAOYSA-N- Molecular formula
- C14H14O4
- Average molar mass
- 246.26 g/mol
- Monoisotopic mass
- 246.08920892
Names & identifiers
- Preferred name
- 3-[5-(4-Methoxyphenyl)furan-2-yl]propanoic acid
- IUPAC
- 3-[5-(4-methoxyphenyl)furan-2-yl]propanoic acid
- English name
- 3-[5-(4-Methoxy-phenyl)-furan-2-yl]-propionic acid
- Molecular formula
- C14H14O4
- Molecular weight
- 246.26
Names & synonyms
3-[5-(4-methoxyphenyl)furan-2-yl]propanoic acid3-(5-(4-Methoxyphenyl)furan-2-yl)propanoic acidRefChem:493597860-967-724098-77-93-[5-(4-Methoxy-phenyl)-furan-2-yl]-propionic acid3-[5-(4-methoxyphenyl)-2-furyl]propanoic acidMFCD02257798Cambridge id 6869944TimTec1_007209Oprea1_161981Oprea1_246636
Show more names
2-Furanpropanoic acid, 5-(4-methoxyphenyl)-3-[5-(4-methoxyphenyl)-2-furanyl]propanoate
MLS000856617CHEMBL1600256SCHEMBL18177326HMS1554H15HMS2696N05ZAA09877STK109164AKOS000592623
Database identifiers
- CAS
24098-77-9- PubChem CID
- 798765
- ChEMBL
CHEMBL1600256- EC Number
- 860-967-7
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 59.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 271
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H332
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
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)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H302-H312-H332
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
Suppliers
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Related reactions
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Compound notes
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