3-[3-(2-Carboxyethoxy)propoxy]propanoic acid
Basic information
- CAS
20575-83-1- Standard SMILES
O=C(O)CCOCCCOCCC(=O)O- InChIKey
IJSFQTQPYISNEF-UHFFFAOYSA-N- Molecular formula
- C9H16O6
- Average molar mass
- 220.22 g/mol
- Monoisotopic mass
- 220.09468823
Names & identifiers
- Preferred name
- 3-[3-(2-Carboxyethoxy)propoxy]propanoic acid
- IUPAC
- 3-[3-(2-carboxyethoxy)propoxy]propanoic acid
Names & synonyms
3-[3-(2-carboxyethoxy)propoxy]propanoic acid20575-83-1NSC361678SCHEMBL8875420DTXSID20320590NSC-361678DS-0047133,3'-[Propane-1,3-diylbis(oxy)]dipropanoic acid
Database identifiers
- CAS
20575-83-1- PubChem CID
- 338574
- DTXSID
DTXSID20320590
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 93.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 171
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Compound notes
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