Basic information
- CAS
91214-05-0- Standard SMILES
CCCCCC(=O)CCCCC(=O)O- InChIKey
CFHSTABJNSOHHK-UHFFFAOYSA-N- Molecular formula
- C11H20O3
- Average molar mass
- 200.27 g/mol
- Monoisotopic mass
- 200.1412445
Names & identifiers
- Preferred name
- 6-oxoundecanoic Acid
- IUPAC
- 6-oxoundecanoic acid
- English name
- 6-OXOUNDECANOIC ACID
- Molecular formula
- C11H20O3
- Molecular weight
- 200.27
Names & synonyms
6-oxoundecanoic Acid91214-05-0Undecanoic acid, 6-oxo-MFCD013201666-OXOUNDECANOICACID6-oxidanylideneundecanoic acidSCHEMBL11066249DTXSID00238447AKOS016022380F207267
Database identifiers
- CAS
91214-05-0- PubChem CID
- 185095
- DTXSID
DTXSID00238447- Nikkaji
- J206.123F
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 175
Physicochemical properties
- Melting point
- 53 · 53-54 °C
- Boiling point
- 190 · 190-192 °C(Press: 12 Torr)
- Density
- 0.992 · 0.992±0.06 g/cm3(Predicted)
- pka
- 4.69 · 4.69±0.10(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers2 total
成都格里迈特医药技术有限公司17308078590; 15928855497 · [email protected]
成都卡麦尔医药科技有限公司028-67136579 15828051124 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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