4,7-Epoxy-1H-indene-3a,7a-dicarboxylic acid, hexahydro-, (3a-alpha,4-alpha,7-alpha,7a-alpha)-
Basic information
- CAS
127311-85-7- Standard SMILES
O=C(O)[C@]12CCC[C@@]1(C(=O)O)[C@H]1CC[C@@H]2O1- InChIKey
WUCUREOFJYRSMJ-FIPCFZRWSA-N- Molecular formula
- C11H14O5
- Average molar mass
- 226.23 g/mol
- Monoisotopic mass
- 226.08412354
Names & identifiers
- Preferred name
- 4,7-Epoxy-1H-indene-3a,7a-dicarboxylic acid, hexahydro-, (3a-alpha,4-alpha,7-alpha,7a-alpha)-
- IUPAC
- (1R,2S,6R,7S)-10-oxatricyclo[5.2.1.02,6]decane-2,6-dicarboxylic acid
Names & synonyms
127311-85-74,7-Epoxy-1H-indene-3a,7a-dicarboxylic acid, hexahydro-, (3a-alpha,4-alpha,7-alpha,7a-alpha)-RefChem:1069558Hexahydro-4,7-epoxy-1H-indene-3a,7a-dicarboxylic acid, (3a-alpha,4-alpha,7-alpha,7a-alpha)-
Database identifiers
- CAS
127311-85-7- PubChem CID
- 3080106
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 83.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 345
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Related reactions
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Compound notes
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