2-Oxo-1-oxa-spiro(4.4)nonane-4-carboxylic acid
Basic information
- CAS
18363-10-5- Standard SMILES
O=C1CC(C(=O)O)C2(CCCC2)O1- InChIKey
RHSJEQPXBBAWME-UHFFFAOYSA-N- Molecular formula
- C9H12O4
- Average molar mass
- 184.19 g/mol
- Monoisotopic mass
- 184.07355886
Names & identifiers
- Preferred name
- 2-Oxo-1-oxa-spiro(4.4)nonane-4-carboxylic acid
- IUPAC
- 2-oxo-1-oxaspiro[4.4]nonane-4-carboxylic acid
- English name
- 2-Oxo-1-oxa-spiro[4.4]nonane-4-carboxylic acid
- Molecular formula
- C9H12O4
- Molecular weight
- 184.19
Names & synonyms
18363-10-52-Oxo-1-oxa-spiro[4.4]nonane-4-carboxylic acidDTXSID803781732-Oxo-1-oxa-spiro(4.4)nonane-4-carboxylic acidRefChem:1064034DTXCID803292012-oxo-1-oxaspiro[4.4]nonane-4-carboxylic acidMFCD004615921-Oxaspiro[4.4]nonane-4-carboxylic acid, 2-oxo-MLS000123358BAS 02786840Oprea1_474425
Show more names
CHEMBRDG-BB 40042212-oxo-1-oxaspiro[4.4]nonane-4-carboxylic acid(SALTDATA: FREE)
Oprea1_768932SCHEMBL2805733CHEMBL1716150HMS1678P07HMS2437L11STK362572AKOS000589014AKOS016340921
Database identifiers
- CAS
18363-10-5- PubChem CID
- 2772064
- DTXSID
DTXSID80378173- ChEMBL
CHEMBL1716150
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 252
Physicochemical properties
- Boiling point
- 430.3 · 430.3±38.0 °C(Predicted)
- Density
- 1.32 · 1.32±0.1 g/cm3(Predicted)
- pka
- 4.04 · 4.04±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
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_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…