Basic information
- CAS
13737-13-8- Standard SMILES
O=C(O)CCC(=O)O[C@H]1C[C@H]2CC[C@@H]1C2- InChIKey
JSLHQOQJMVNMBF-YIZRAAEISA-N- Molecular formula
- C11H16O4
- Average molar mass
- 212.24 g/mol
- Monoisotopic mass
- 212.10485899
Names & identifiers
- Preferred name
- Butanedioic acid, mono(bicyclo[2.2.1]hept-2-yl) ester, endo-
- IUPAC
- 4-[[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]oxy]-4-oxobutanoic acid
Names & synonyms
DTXSID101185569Butanedioic acid, mono(bicyclo[2.2.1]hept-2-yl) ester, endo-13737-13-84-{[(1R,2S,4S)-Bicyclo[2.2.1]heptan-2-yl]oxy}-4-oxobutanoic acid
Database identifiers
- CAS
13737-13-8- PubChem CID
- 914799
- DTXSID
DTXSID101185569
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 274
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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