6,6-Dimethylbicyclo[3.1.1]heptane-2-carboxylic acid
Basic information
- CAS
76198-24-8- Standard SMILES
CC1(C)C2CCC(C(=O)O)C1C2- InChIKey
FTWVTMKZNPJWOT-UHFFFAOYSA-N- Molecular formula
- C10H16O2
- Average molar mass
- 168.23 g/mol
- Monoisotopic mass
- 168.11502975
Names & identifiers
- Preferred name
- 6,6-Dimethylbicyclo[3.1.1]heptane-2-carboxylic acid
- IUPAC
- 6,6-dimethylbicyclo[3.1.1]heptane-2-carboxylic acid
Names & synonyms
76198-24-86,6-dimethylbicyclo[3.1.1]heptane-2-carboxylic acidDTXSID902829546,6-Dimethylbicyclo(3.1.1)heptane-2-carboxylic acidRefChem:306068DTXCID40234105850-713-3NSC28949IBA74129NSC-28949EN300-1857845
Database identifiers
- CAS
76198-24-8- PubChem CID
- 231979
- DTXSID
DTXSID90282954- EC Number
- 850-713-3
- Nikkaji
- J2.367.950G
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 220
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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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