1',2',3',5',6',7',8'-Heptachlorospiro[1,3-dioxolane-2,9'-pentacyclo[4.3.0.02,5.03,8.04,7]nonane]-4'-carboxylic acid
Basic information
- CAS
1659-90-1- Standard SMILES
O=C(O)C12C3(Cl)C4(Cl)C5(OCCO5)C5(Cl)C3(Cl)C1(Cl)C5(Cl)C42Cl- InChIKey
DIXQXBLKZUKOBK-UHFFFAOYSA-N- Molecular formula
- C12H5Cl7O4
- Average molar mass
- 461.3 g/mol
- Monoisotopic mass
- 457.800752
Names & identifiers
- Preferred name
- 1',2',3',5',6',7',8'-Heptachlorospiro[1,3-dioxolane-2,9'-pentacyclo[4.3.0.02,5.03,8.04,7]nonane]-4'-carboxylic acid
- IUPAC
- 1',2',3',5',6',7',8'-heptachlorospiro[1,3-dioxolane-2,9'-pentacyclo[4.3.0.02,5.03,8.04,7]nonane]-4'-carboxylic acid
Names & synonyms
1659-90-1NSC102910DTXSID90937139NSC-1029101',2',3',5',6',7',8'-Heptachlorospiro[[1,3]dioxolane-2,9'-pentacyclo[4.3.0.0~2,5~.0~3,8~.0~4,7~]nonane]-4'-carboxylic acid1',2',3',5',6',7',8'-Heptachlorospiro[1,3-dioxolane-2,9'-pentacyclo[4.3.0.0~2,5~.0~3,8~.0~4,7~]nonane]-4'-carboxylic acidSpiro[1,9'-pentacyclo[4.3.0.02,5.03,8.04,7]nonane]-4'-carboxylic acid, 1',2',3',5',6',7',8'-heptachloro-
Database identifiers
- CAS
1659-90-1- PubChem CID
- 266019
- DTXSID
DTXSID90937139
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 749
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