Basic information
- CAS
74034-39-2- Standard SMILES
O=C(O)C1C2OC3C(OC(=O)C31)C2Cl- InChIKey
SIIMPOCAYCQRBK-UHFFFAOYSA-N- Molecular formula
- C8H7ClO5
- Average molar mass
- 218.59 g/mol
- Monoisotopic mass
- 217.998201
Names & identifiers
- Preferred name
- 3,8-Epoxy-6-oxabicyclo(3.2.1)octan-2-carboxylic acid, 4-chloro-7-oxo-
- IUPAC
- 2-chloro-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carboxylic acid
Names & synonyms
3,8-Epoxy-6-oxabicyclo(3.2.1)octan-2-carboxylic acid, 4-chloro-7-oxo-RefChem:106622974034-39-24-Hydroxy-5-chloro-3,6-endoxo-hexahydrophthalic acid lactoneNSC1917742,6-Methanofuro[3,2-b]furan-7-carboxylic acid, 3-chlorohexahydro-5-oxo-2,6-Methanofuro(3,2-b)furan-7-carboxylic acid, 3-chlorohexahydro-5-oxo-NSC 1917743, 4-chloro-7-oxo-chloro(oxo)[?]carboxylic acidSCHEMBL11976386WLN: T5SJ BYVZ- BT5SJ
Show more names
DTXSID80995349Hexahydrophthalic acid lactone der.NSC-1917742,2-b]furan-7-carboxylic acid, 3-chlorohexahydro-5-oxo-3-Chloro-5-oxohexahydro-2,6-methanofuro[3,2-b]furan-7-carboxylic acid
Database identifiers
- CAS
74034-39-2- PubChem CID
- 73683
- DTXSID
DTXSID80995349- Nikkaji
- J67.321H
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 72.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 330
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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