Basic information
- CAS
30675-03-7- Standard SMILES
CC12CC3(C)CC(C(Cl)C(=O)O)(C1)CC(C(Cl)C(=O)O)(C2)C3- InChIKey
USTSJYGYDXSYRI-UHFFFAOYSA-N- Molecular formula
- C16H22Cl2O4
- Average molar mass
- 349.2 g/mol
- Monoisotopic mass
- 348.0895146
Names & identifiers
- Preferred name
- 2-[3-[Carboxy(chloro)methyl]-5,7-dimethyl-1-adamantyl]-2-chloroacetic acid
- IUPAC
- 2-[3-[carboxy(chloro)methyl]-5,7-dimethyl-1-adamantyl]-2-chloroacetic acid
Names & synonyms
NSC25532130675-03-7DTXSID90330444NSC-2553212,2'-(5,7-Dimethyltricyclo[3.3.1.1~3,7~]decane-1,3-diyl)bis(chloroacetic acid)
Database identifiers
- CAS
30675-03-7- PubChem CID
- 429458
- DTXSID
DTXSID90330444
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 486
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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