Basic information
- CAS
55724-73-7- Standard SMILES
CCCCOCCCC(=O)O- InChIKey
IZNAUZVEFQFMON-UHFFFAOYSA-N- Molecular formula
- C8H16O3
- Average molar mass
- 160.21 g/mol
- Monoisotopic mass
- 160.10994437
Names & identifiers
- Preferred name
- 4-Butoxybutanoic acid
- IUPAC
- 4-butoxybutanoic acid
- English name
- BUTANOICACID,4-BUTOXY-
- Molecular formula
- C8H16O3
- Molecular weight
- 160.21
Names & synonyms
4-BUTOXYBUTANOIC ACID55724-73-7Butanoic acid, 4-butoxy-4-butoxy-butanoic acid4-Butoxybutanoic acid #SCHEMBL379965SCHEMBL4687230SCHEMBL27458768DTXSID90204272IZNAUZVEFQFMON-UHFFFAOYSA-NBUTANOICACID,4-BUTOXY-
Database identifiers
- CAS
55724-73-7- PubChem CID
- 41562
- DTXSID
DTXSID90204272- Nikkaji
- J129.309E
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 102
Physicochemical properties
- Boiling point
- 137 · 137-180 °C(Press: 20 Torr)
- Density
- 0.991 · 0.991±0.06 g/cm3(Predicted)
- pka
- 4 · 4+-.0.10(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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