2,2,7,7-Tetramethyl-tetrahydro-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-3a-carboxylic acid

HCID 409809

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Basic information

CAS: 6974-48-7
Standard SMILES: CC1(C)OC2COC3(C(=O)O)OC(C)(C)OC3C2O1
InChIKey: PARIIUNRTDNPFX-UHFFFAOYSA-N
Molecular formula: C12H18O7
Average molar mass: 274.27 g/mol
Monoisotopic mass: 274.10525291

Names & identifiers

Preferred name: 2,2,7,7-Tetramethyl-tetrahydro-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-3a-carboxylic acid
IUPAC: 4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-6-carboxylic acid

Names & synonyms

NSC238146974-48-7DTXSID10328388PARIIUNRTDNPFX-UHFFFAOYSA-NNSC-238142,2,7,7-Tetramethyl-tetrahydro-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-3a-carboxylic acid2,2,7,7-Tetramethyltetrahydro-2H,3aH,7H-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-3a-carboxylic acid

Database identifiers

CAS: 6974-48-7
PubChem CID: 409809
DTXSID: DTXSID10328388

Properties

Computed structural properties

XLogP: 0
Topological polar surface area: 83.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 7
Rotatable bonds: 1
Heavy atoms: 19
Formal charge: 0
Complexity: 418

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