(Tridecyloxy)acetic acid
Basic information
- CAS
6064-76-2- Standard SMILES
CCCCCCCCCCCCCOCC(=O)O- InChIKey
DILXFGQNJVNSAH-UHFFFAOYSA-N- Molecular formula
- C15H30O3
- Average molar mass
- 258.4 g/mol
- Monoisotopic mass
- 258.21949481
Names & identifiers
- Preferred name
- (Tridecyloxy)acetic acid
- IUPAC
- 2-tridecoxyacetic acid
Names & synonyms
(Tridecyloxy)acetic acid6064-76-2DTXSID40315342RefChem:211238DTXCID80266465NSC294120SCHEMBL2721357CHEMBL2397318NSC-294120
Database identifiers
- CAS
6064-76-2- PubChem CID
- 325397
- DTXSID
DTXSID40315342- ChEMBL
CHEMBL2397318- Nikkaji
- J858.595D
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 14
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 181
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Compound notes
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