3-Methoxyhexanoic acid
Basic information
- CAS
5413-09-2- Standard SMILES
CCCC(CC(=O)O)OC- InChIKey
NRBNOCSQNXBBGW-UHFFFAOYSA-N- Molecular formula
- C7H14O3
- Average molar mass
- 146.18 g/mol
- Monoisotopic mass
- 146.0942943
Names & identifiers
- Preferred name
- 3-Methoxyhexanoic acid
- IUPAC
- 3-methoxyhexanoic acid
Names & synonyms
5413-09-23-methoxyhexanoic acidNSC231380SCHEMBL141330SCHEMBL23608071DTXSID30310720AKOS006379060NSC-231380
Database identifiers
- CAS
5413-09-2- PubChem CID
- 314154
- DTXSID
DTXSID30310720
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 101
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Related reactions
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Compound notes
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