dimethyl (Z)-2-(aziridin-1-yl)but-2-enedioate
Basic information
- CAS
1883-79-0- Standard SMILES
COC(=O)/C=C(/C(=O)OC)N1CC1- InChIKey
ZQTLPDITBNKBFO-WAYWQWQTSA-N- Molecular formula
- C8H11NO4
- Average molar mass
- 185.18 g/mol
- Monoisotopic mass
- 185.06880783
Names & identifiers
- Preferred name
- dimethyl (Z)-2-(aziridin-1-yl)but-2-enedioate
- IUPAC
- dimethyl (Z)-2-(aziridin-1-yl)but-2-enedioate
Names & synonyms
1883-79-0AC1NTFSKDTXSID40418862NSC89948NSC-89948Dimethyl (2Z)-2-(aziridin-1-yl)but-2-enedioate
Database identifiers
- CAS
1883-79-0- PubChem CID
- 5380228
- DTXSID
DTXSID40418862
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 55.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 255
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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