Basic information
- Standard SMILES
CC1(C)Oc2cc3c(c(C(=O)O)c2O1)OC(C)(C)O3- InChIKey
IXPVSRAWHLKCJB-UHFFFAOYSA-N- Molecular formula
- C13H14O6
- Average molar mass
- 266.25 g/mol
Names & identifiers
- Preferred name
- 2,2,6,6-Tetramethylbenzo [1,2-d:4,5-d']-bis(1,3)dioxole-4-carboxylic Acid
- IUPAC
- 2,2,6,6-tetramethyl-[1,3]dioxolo[4,5-f][1,3]benzodioxole-8-carboxylic acid
Names & synonyms
SCHEMBL7519849IXPVSRAWHLKCJB-UHFFFAOYSA-N2,2,6,6-Tetramethylbenzo [1,2-d:4,5-d']-bis(1,3)dioxole-4-carboxylic Acid2,2,6,6-Tetramethylbenzo[1,2-d:4,5-d']-bis(1,3)dioxole-4-carboxylic acid
Database identifiers
- PubChem CID
- 21189141
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 74.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 374
Related reactions
5 records
Compound notes
Loading…