4-(Carboxymethyl)-2,6-dimethyloxane-4-carboxylic acid
Basic information
- CAS
13335-38-1- Standard SMILES
CC1CC(CC(=O)O)(C(=O)O)CC(C)O1- InChIKey
NRMOEYZJVUBLMB-UHFFFAOYSA-N- Molecular formula
- C10H16O5
- Average molar mass
- 216.23 g/mol
- Monoisotopic mass
- 216.09977361
Names & identifiers
- Preferred name
- 4-(Carboxymethyl)-2,6-dimethyloxane-4-carboxylic acid
- IUPAC
- 4-(carboxymethyl)-2,6-dimethyloxane-4-carboxylic acid
Names & synonyms
13335-38-14-(carboxymethyl)-2,6-dimethyloxane-4-carboxylic acidNSC168408DTXSID80304932NSC-168408
Database identifiers
- CAS
13335-38-1- PubChem CID
- 297300
- DTXSID
DTXSID80304932
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 83.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 263
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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