Basic information
- CAS
51111-28-5- Standard SMILES
CC1(C)CCC(CC(=O)O)(CC(=O)O)CC1- InChIKey
AYBICQCXGRPBLK-UHFFFAOYSA-N- Molecular formula
- C12H20O4
- Average molar mass
- 228.28 g/mol
- Monoisotopic mass
- 228.13615911
Names & identifiers
- Preferred name
- 2,2'-(4,4-Dimethylcyclohexane-1,1-diyl)diacetic acid
- IUPAC
- 2-[1-(carboxymethyl)-4,4-dimethylcyclohexyl]acetic acid
Names & synonyms
51111-28-52,2'-(4,4-dimethylcyclohexane-1,1-diyl)diacetic acidNSC159449DTXSID70303631NSC-159449
Database identifiers
- CAS
51111-28-5- PubChem CID
- 293129
- DTXSID
DTXSID70303631
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 265
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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