Basic information
- CAS
14202-13-2- Standard SMILES
CC12CC3CC(C1)CC(CC(=O)O)(C3)C2- InChIKey
OIASGIUDXARLDU-UHFFFAOYSA-N- Molecular formula
- C13H20O2
- Average molar mass
- 208.3 g/mol
- Monoisotopic mass
- 208.14632988
Names & identifiers
- Preferred name
- 3-Methyl-1-adamantaneacetic acid
- IUPAC
- 2-(3-methyl-1-adamantyl)acetic acid
Names & synonyms
3-Methyl-1-adamantaneacetic acid14202-13-2(3-methyladamantan-1-yl)acetic acid2-(3-methyl-1-adamantyl)acetic acid3-methyladamantan-1-ylacetic acid3-Methyltricyclo[3.3.1.13,7]decane-1-acetic acidCBMicro_019139EINECS 238-054-4Cambridge id 5357729Oprea1_266934SCHEMBL5033393-Methyltricyclo(3.3.1.13,7)decan-1-ylacetic acid
Show more names
DTXSID40931304HMS1608I12CCG-7258(3-Methyl-1-adamantyl)acetic acid #AKOS001484841AKOS021984359BIM-0018944.P001NS00051998
Database identifiers
- CAS
14202-13-2- PubChem CID
- 85698
- DTXSID
DTXSID40931304- EC Number
- 238-054-4
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 294
Related reactions
2 records
Compound notes
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