2-[2-(Carboxymethyl)-2-methylcyclohexyl]acetic acid
Basic information
- CAS
77841-78-2- Standard SMILES
CC1(CC(=O)O)CCCCC1CC(=O)O- InChIKey
JAVMDXPWZBYODO-UHFFFAOYSA-N- Molecular formula
- C11H18O4
- Average molar mass
- 214.26 g/mol
- Monoisotopic mass
- 214.12050905
Names & identifiers
- Preferred name
- 2-[2-(Carboxymethyl)-2-methylcyclohexyl]acetic acid
- IUPAC
- 2-[2-(carboxymethyl)-2-methylcyclohexyl]acetic acid
Names & synonyms
NSC17931377841-78-2DTXSID40306679NSC-1793132,2'-(1-Methylcyclohexane-1,2-diyl)diacetic acid
Database identifiers
- CAS
77841-78-2- PubChem CID
- 301473
- DTXSID
DTXSID40306679
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 261
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Compound notes
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