Basic information
- CAS
73622-93-2- Standard SMILES
O=C(COc1ccccc1)OC(=O)N/C=C/NC(=O)OC(=O)COc1ccccc1- InChIKey
GJOUVZMYTGGZHZ-UHFFFAOYSA-N- Molecular formula
- C20H18N2O8
- Average molar mass
- 414.4 g/mol
- Monoisotopic mass
- 414.10631554
Names & identifiers
- Preferred name
- Carbamic acid, N,N'-vinylenedi-, dianhydride with phenoxyacetic acid
- IUPAC
- [(E)-2-[(2-phenoxyacetyl)oxycarbonylamino]ethenyl]carbamoyl 2-phenoxyacetate
- English name
- N,N'-Vinylenebis(phenoxyacetic acid carbamic acid anhydride)
- Molecular formula
- C20H18N2O8
- Molecular weight
- 414.37
Names & synonyms
CARBAMIC ACID, N,N'-VINYLENEDI-, DIANHYDRIDE with PHENOXYACETIC ACID73622-93-2RefChem:1080945BRN 2029947N,N'-Vinylenebis(phenoxyacetic acid carbamic acid anhydride)Acetic acid, 2,2'-phenoxydi-, dianhydride with N,N'-vinylenedicarbamic acidN,N'-Vinylenedicarbamic acid di(phenoxyacetic)dianhydride[(E)-2-[(2-phenoxyacetyl)oxycarbonylamino]ethenyl]carbamoyl 2-phenoxyacetate
Database identifiers
- CAS
73622-93-2- PubChem CID
- 3033554
- Nikkaji
- J69.407J
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 12
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 558
Physicochemical properties
- Density
- 1.337 · 1.337±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 8.229 · 8.229±0.46(predicted)
- EWG's Food Scores
- 1 · 1
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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