2-Butenedioic acid, 2-(4-chlorophenoxy)-, bis(2-(dimethylamino)ethyl)ester, (Z)-, ethanedioate (1:2)
Basic information
- CAS
129320-18-9- Standard SMILES
CN(C)CCOC(=O)/C=C(\Oc1ccc(Cl)cc1)C(=O)OCCN(C)C.O=C(O)C(=O)O.O=C(O)C(=O)O- InChIKey
KYWHQAWBTMBGBM-CUKDSWIPSA-N- Molecular formula
- C22H29ClN2O13
- Average molar mass
- 564.9 g/mol
- Monoisotopic mass
- 564.1358167
Names & identifiers
- Preferred name
- 2-Butenedioic acid, 2-(4-chlorophenoxy)-, bis(2-(dimethylamino)ethyl)ester, (Z)-, ethanedioate (1:2)
- IUPAC
- bis[2-(dimethylamino)ethyl] (Z)-2-(4-chlorophenoxy)but-2-enedioate;oxalic acid
Names & synonyms
129320-18-92-Butenedioic acid, 2-(4-chlorophenoxy)-, bis(2-(dimethylamino)ethyl)ester, (Z)-, ethanedioate (1:2)RefChem:1062619
Database identifiers
- CAS
129320-18-9- PubChem CID
- 6449147
Properties
Computed structural properties
- Topological polar surface area
- 218 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 14
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 546
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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