Basic information
- CAS
6308-79-8- Standard SMILES
C1CCCNCCC1.O=C(O)/C=C\C(=O)O- InChIKey
FDINYGHMWKGJGQ-BTJKTKAUSA-N- Molecular formula
- C11H19NO4
- Average molar mass
- 229.27 g/mol
- Monoisotopic mass
- 229.13140809
Names & identifiers
- Preferred name
- azocane;(Z)-but-2-enedioic acid
- IUPAC
- azocane;(Z)-but-2-enedioic acid
Names & synonyms
NSC422756308-79-8DTXSID40418004NSC-42275(2Z)-But-2-enedioic acid--azocane (1/1)
Database identifiers
- CAS
6308-79-8- PubChem CID
- 5355641
- DTXSID
DTXSID40418004
Properties
Computed structural properties
- Topological polar surface area
- 86.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 165
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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