3,3'-[1,3-Phenylenebis(oxy)]dipropanoic acid
Basic information
- CAS
61479-41-2- Standard SMILES
O=C(O)CCOc1cccc(OCCC(=O)O)c1- InChIKey
JYDYGJKGXBHJBD-UHFFFAOYSA-N- Molecular formula
- C12H14O6
- Average molar mass
- 254.24 g/mol
- Monoisotopic mass
- 254.07903816
Names & identifiers
- Preferred name
- 3,3'-[1,3-Phenylenebis(oxy)]dipropanoic acid
- IUPAC
- 3-[3-(2-carboxyethoxy)phenoxy]propanoic acid
- English name
- MFCD12972344
- Molecular formula
- C12H14O6
- Molecular weight
- 254.24
Names & synonyms
61479-41-23,3'-[1,3-phenylenebis(oxy)]dipropanoic acid3-[3-(2-carboxyethoxy)phenoxy]propanoic acidMFCD129723443,3'-(1,3-Phenylenebis(oxy))dipropanoic acidPropanoic acid, 3,3'-[1,3-phenylenebis(oxy)]bis-NSC361679DTXSID80320591ALBB-023774SBB071747AKOS015998155NSC-361679
Show more names
3-[3-(2-carboxyethyloxy)phenoxy]propionic acid3-[3-(2-carboxyethyloxy)phenoxy]propanoic acidPropanoic acid, 3,3'-[1,3-phenylenebis(oxy)]bis- (9CI)
FP131541LS-07533DS-014048ST45026937ST508197163,3'-(1,3-Phenylenebis(oxy))dipropanoicacid3,3-[1,3-Phenylenebis(oxy)]dipropanoic acidH34147
Database identifiers
- CAS
61479-41-2- PubChem CID
- 338575
- DTXSID
DTXSID80320591- Nikkaji
- J2.039.857D
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 93.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 252
Physicochemical properties
- Melting point
- 172 · 172-174 °C
- Boiling point
- 423.9 · 423.9±25.0 °C(Predicted)
- Density
- 1.319 · 1.319±0.06 g/cm3(Predicted)
- pka
- 3.91 · 3.91±0.10(Predicted)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…