4-Ethoxy-2-methoxyphenylpropanoic acid
Basic information
- CAS
1399659-51-8- Standard SMILES
CCOc1ccc(CCC(=O)O)c(OC)c1- InChIKey
YCCPKMKVMVUNME-UHFFFAOYSA-N- Molecular formula
- C12H16O4
- Average molar mass
- 224.25 g/mol
- Monoisotopic mass
- 224.10485899
Names & identifiers
- Preferred name
- 4-Ethoxy-2-methoxyphenylpropanoic acid
- IUPAC
- 3-(4-ethoxy-2-methoxyphenyl)propanoic acid
Names & synonyms
1399659-51-84-Ethoxy-2-methoxyphenylpropanoic acid3-(4-Ethoxy-2-methoxy-phenyl)-propionic acid4-Ethoxy-2-methoxyphenylpropanoicacid3-(4-Ethoxy-2-methoxyphenyl)propanoic acid
Database identifiers
- CAS
1399659-51-8- PubChem CID
- 97034664
- EC Number
- 181-482-0
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 217
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%)
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Related reactions
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Compound notes
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