Basic information
- CAS
474-98-6- Standard SMILES
CC12CCC(C(C(=O)O)C1=O)C2(C)C- InChIKey
XNMVAVGXJZFTEH-UHFFFAOYSA-N- Molecular formula
- C11H16O3
- Average molar mass
- 196.24 g/mol
- Monoisotopic mass
- 196.10994437
Names & identifiers
- Preferred name
- 4,7,7-Trimethyl-3-oxobicyclo[2.2.1]heptane-2-carboxylic acid
- IUPAC
- 4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-2-carboxylic acid
- English name
- (+/-)-Camphorcarboxylic acid
- Molecular formula
- C11H16O3
- Molecular weight
- 196.24
Names & synonyms
4,7,7-Trimethyl-3-oxobicyclo[2.2.1]heptane-2-carboxylic acid(+/-)-3-CAMPHORCARBOXYLIC ACID(+)-camphorcarboxylic aciddl-3-camphorcarboxylic acidMFCD08272794Camphercarbonsauredl-Camphorcarboxylic acidD,L-3-Camphorcarboxylic acidSCHEMBL503441CHEMBL4757609SCHEMBL27472956XNMVAVGXJZFTEH-UHFFFAOYSA-N
Show more names
Camphocarboxylic acid(+/-)-Camphorcarboxylic acid2-oxobornane-3-carboxylic acid(+/-)-camphor-3-carboxylic acidBicyclo[2.2.1]heptane-2-carboxylic acid, 4,7,7-trimethyl-3-oxo-
18530-29-5Bicyclo[2.2.1]heptane-2-carboxylicacid, 4,7,7-trimethyl-3-oxo-NSC120549NSC120550NSC158042AKOS004120830NSC-120550DB-044560
Database identifiers
- CAS
474-98-6、58526-53-7- PubChem CID
- 86758
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 318
Physicochemical properties
- Melting point
- 128 °C · 128 °C
- Boiling point
- 317.7 · 317.7±25.0 °C(Predicted)
- Density
- 1.233 g/cm3 · 1.233 g/cm3
- pka
- 3.57 · 3.57±0.60(Predicted)
- FDA UNII
- 884334 IE · RB884334IE
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
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
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers4 total
Alfa Chemistry+1-5166625404 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 17389186172 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
2 records
Compound notes
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