Basic information
- CAS
35464-94-9- Standard SMILES
O=C(O)CCCCCCCCCCC(=O)O.OCCCCCCCCCCO- InChIKey
GSRWHUVBCMIFSG-UHFFFAOYSA-N- Molecular formula
- C22H44O6
- Average molar mass
- 404.6 g/mol
- Monoisotopic mass
- 404.31378912
Names & identifiers
- Preferred name
- Agn-PC-0jkphq
- IUPAC
- decane-1,10-diol;dodecanedioic acid
Names & synonyms
AGN-PC-0JKPHQ35464-94-9DTXSID40275396Dodecanedioic acid--decane-1,10-diol (1/1)
Database identifiers
- CAS
35464-94-9- PubChem CID
- 37152
- DTXSID
DTXSID40275396
Properties
Computed structural properties
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 20
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 243
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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