Basic information
- CAS
75656-45-0- Standard SMILES
CC(=O)CCC(CC(=O)O)C(C)C- InChIKey
ZLKOMEDABHKFAC-UHFFFAOYSA-N- Molecular formula
- C10H18O3
- Average molar mass
- 186.25 g/mol
- Monoisotopic mass
- 186.12559443
Names & identifiers
- Preferred name
- 6-Oxo-3-(propan-2-yl)heptanoic acid
- IUPAC
- 6-oxo-3-propan-2-ylheptanoic acid
- English name
- 6-oxo-3-propan-2-yl-heptanoic acid
- Molecular formula
- C10H18O3
- Molecular weight
- 186.25
Names & synonyms
75656-45-06-Oxo-3-(propan-2-yl)heptanoic acidDTXSID70280978RefChem:309281DTXCID50232132Heptanoic acid, 3-(1-methylethyl)-6-oxo-6-oxo-3-propan-2-ylheptanoic acid3-Isopropyl-6-oxoheptanoic acidNSC19521SCHEMBL289778623-isopropyl-6-ketoheptanoic acidNSC-19521
Show more names
6-oxo-3-propan-2-yl-heptanoic acid
NS00113963
Database identifiers
- CAS
75656-45-0- PubChem CID
- 227622
- DTXSID
DTXSID70280978
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 185
Physicochemical properties
- Boiling point
- 147 · 147-149 °C(Press: 4 Torr)
- Density
- 1.0168 g/cm3 · 1.0168 g/cm3(Temp: 25 °C)
- pka
- 4.68 · 4.68±0.10(Predicted)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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