5-Methylbicyclo(3.3.1)nonane-1-carboxylic acid
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Basic information
- CAS
91965-21-8- Standard SMILES
CC12CCCC(C(=O)O)(CCC1)C2- InChIKey
YIKIESMRPJSYAY-UHFFFAOYSA-N- Molecular formula
- C11H18O2
- Average molar mass
- 182.26 g/mol
- Monoisotopic mass
- 182.13067981
Names & identifiers
- Preferred name
- 5-Methylbicyclo(3.3.1)nonane-1-carboxylic acid
- IUPAC
- 5-methylbicyclo[3.3.1]nonane-1-carboxylic acid
- English name
- 5-methylbicyclo[3.3.1]nonane-1-carboxylic acid
- Molecular formula
- C11H18O2
- Molecular weight
- 182.26
Names & synonyms
5-methylbicyclo[3.3.1]nonane-1-carboxylic acid91965-21-85-Methylbicyclo(3.3.1)nonane-1-carboxylic acidRefChem:537248887-699-3MFCD00497987Maybridge3_001023SCHEMBL31179782HMS1433O11AKOS001022135SB74190IDI1_012410
Show more names
Bicyclo[3.3.1]nonane-1-carboxylic acid, 5-methyl-5-methylbicyclo[3.3.1]nonane-1-carboxylic acid - [M87912]
AS-78562SY175571CS-0160696EN300-513205-methylbicyclo[3.3.1]nonane-1-carboxylicacidD95132F690385Z56754317
Database identifiers
- CAS
91965-21-8- PubChem CID
- 727236
- EC Number
- 887-699-3
Properties
Computed structural propertiesFilling in
- XLogP
- 3
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 222
Physicochemical properties
- Boiling point
- 301.7 · 301.7±10.0 °C(Predicted)
- Density
- 1.121 · 1.121±0.06 g/cm3(Predicted)
- pka
- 4.87 · 4.87±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-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.
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
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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