2-Oxo-1-oxaspiro(4.5)decane-4-carboxylic acid
Basic information
- CAS
2819-56-9- Standard SMILES
O=C1CC(C(=O)O)C2(CCCCC2)O1- InChIKey
ZTXZIBLPLHQZAQ-UHFFFAOYSA-N- Molecular formula
- C10H14O4
- Average molar mass
- 198.22 g/mol
- Monoisotopic mass
- 198.08920892
Names & identifiers
- Preferred name
- 2-Oxo-1-oxaspiro(4.5)decane-4-carboxylic acid
- IUPAC
- 2-oxo-1-oxaspiro[4.5]decane-4-carboxylic acid
- English name
- 2-Oxo-1-oxa-spiro[4.5]decane-4-carboxylic acid
- Molecular formula
- C10H14O4
- Molecular weight
- 198.22
Names & synonyms
2-oxo-1-oxaspiro[4.5]decane-4-carboxylic acid2819-56-9DTXSID8012505232-Oxo-1-oxaspiro(4.5)decane-4-carboxylic acidRefChem:1064035DTXCID001457597876-853-5MFCD004615942-Oxo-1-oxa-spiro[4.5]decane-4-carboxylic acid1-Oxaspiro[4.5]decane-4-carboxylicacid, 2-oxo-2-Oxo-1-oxaspiro(4,5)decane-4-carboxylic acid2-oxo-1-oxaspiro[4,5]decane-4-carboxylic acid
Show more names
TOSLAB 868773CHEMBRDG-BB 40042193-OXO-4-OXASPIRO[4.5]DECANE-1-CARBOXYLIC ACID2-keto-1-oxaspiro[4.5]decane-4-carboxylic acid1-Oxaspiro[4.5]decane-4-carboxylic acid, 2-oxo-2-oxo-1-oxaspiro[4.5]decane-4-carboxylic acid(SALTDATA: FREE)
NSC253281-Oxaspiro(4.5)decane-4-carboxylic acid, 2-oxo-ChemDiv2_000814Oprea1_077695Oprea1_4882055-18-08-00095 (Beilstein Handbook Reference)SCHEMBL2804396ZTXZIBLPLHQZAQ-UHFFFAOYSA-N
Database identifiers
- CAS
2819-56-9- PubChem CID
- 95242
- DTXSID
DTXSID801250523- EC Number
- 876-853-5
- Nikkaji
- J428.221C
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 265
Physicochemical properties
- Melting point
- 184 · 184-185 °C (decomp)
- Boiling point
- 434.6 · 434.6±38.0 °C(Predicted)
- Density
- 1.27 · 1.27±0.1 g/cm3(Predicted)
- pka
- 4.07 · 4.07±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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