Basic information
- CAS
469-74-9- Standard SMILES
CC1(C)C(=O)C2(C(=O)O)CCC1C2- InChIKey
ORQVWMMEHAPYJK-UHFFFAOYSA-N- Molecular formula
- C10H14O3
- Average molar mass
- 182.22 g/mol
- Monoisotopic mass
- 182.0942943
Names & identifiers
- Preferred name
- 3,3-Dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxylic acid
- IUPAC
- 3,3-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxylic acid
- English name
- 3,3-DIMETHYL-2-OXOBICYCLO[2.2.1]HEPTANE-1-CARBOXYLIC ACID
- Molecular formula
- C10H14O3
- Molecular weight
- 182.22
Names & synonyms
469-74-93,3-Dimethyl-2-oxo-bicyclo[2.2.1]heptane-1-carboxylic acid3,3-Dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxylic acidNSC6701513,3-dimethyl-2-oxo-norbornane-1-carboxylic acidF1052-00073,3-dimethyl-2-oxobicyclo[2.2.1]heptanecarboxylic acidNSC167056Oprea1_306355Oprea1_418215DTXSID80304715HMS1652K04
Show more names
AKOS BB-9892AKOS BBS-00000124IFLAB-BB F1052-0007SPECS AF-399/40768815Bicyclo[2.2.1]heptane-1-carboxylic acid, 3,3-dimethyl-2-oxo-(1R,4S)-3,3-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxylic acid
SMSSF-0613214SBB038069STL553121AKOS000267975AKOS016038840NSC-167056NSC-670151ST50036785
Database identifiers
- CAS
469-74-9- PubChem CID
- 296629
- DTXSID
DTXSID80304715
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 293
Physicochemical properties
- Melting point
- 124 °C · 124 °C
- Boiling point
- 275 · 275-303 °C
- Density
- 1.238 · 1.238±0.06 g/cm3(Predicted)
- pka
- 3.66 · 3.66±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.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers1 total
陕西缔都医药化工有限公司+86-29-81139210 17389186172 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…