Basic information
- CAS
18244-47-8- Standard SMILES
O=C(O)C1CCC2(CCCCC2)CC1- InChIKey
IMZALJRIJNIAON-UHFFFAOYSA-N- Molecular formula
- C12H20O2
- Average molar mass
- 196.29 g/mol
- Monoisotopic mass
- 196.14632988
Names & identifiers
- Preferred name
- Spiro(5.5)undecane-3-carboxylic acid
- IUPAC
- spiro[5.5]undecane-3-carboxylic acid
- English name
- Spiro[5.5]undecane-3-carboxylic acid
- Molecular formula
- C12H20O2
- Molecular weight
- 196.29
Names & synonyms
Spiro[5.5]undecane-3-carboxylic acid18244-47-8Spiro(5.5)undecane-3-carboxylic acidDTXSID10171295NSC 211495RefChem:184780DTXCID8093786860-294-9SCHEMBL515587SCHEMBL11636747NSC211495AT47137
Show more names
Spirocyclo[5.5]undecan-3-carboxylic acid(spiro[5.5]undecan-3-carboxylic acid)spirocyclo[5.5]undecan-3-carboxylic acid(spiro[5.5]undecane-3-carboxylic acid)
NSC-211495DB-083388EN300-5141163Z1255375309
Database identifiers
- CAS
18244-47-8- PubChem CID
- 140359
- DTXSID
DTXSID10171295- EC Number
- 860-294-9
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 206
Physicochemical properties
- Boiling point
- 326.2 · 326.2±10.0 °C(Predicted)
- Density
- 1.06 · 1.06±0.1 g/cm3(Predicted)
- pka
- 4.78 · 4.78±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H315-H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers4 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 13651849907 · [email protected]
华阴市赛普生物科技有限公司13892502238 · [email protected]
南京康满林化工实业有限公司025-83697070 13770331960 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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