N,N'-Vinylenebis(iodoacetic acid carbamic acid anhydride)
PubChem CID
3033552
Structure
Molecular Formula
Synonyms
- N,N'-Vinylenebis(iodoacetic acid carbamic acid anhydride)
- BRN 1998942
- 73622-91-0
- CARBAMIC ACID, N,N'-VINYLENEDI-, DIANHYDRIDE with IODOACETIC ACID
- Acetic acid, 2,2'-diiododi-, dianhydride with N,N'-vinylene dicarbamic acid
Molecular Weight
481.97 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Dates
- Create:2005-08-08
- Modify:2025-01-18
Chemical Structure Depiction
[(E)-2-[(2-iodoacetyl)oxycarbonylamino]ethenyl]carbamoyl 2-iodoacetate
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/C8H8I2N2O6/c9-3-5(13)17-7(15)11-1-2-12-8(16)18-6(14)4-10/h1-2H,3-4H2,(H,11,15)(H,12,16)/b2-1+
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
XSLBXSQZGZWLTI-OWOJBTEDSA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
C(C(=O)OC(=O)N/C=C/NC(=O)OC(=O)CI)I
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C8H8I2N2O6
Computed by PubChem 2.2 (PubChem release 2021.10.14)
73622-91-0
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
481.97 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
XLogP3-AA
Property Value
0.6
Reference
Computed by XLogP3 3.0 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
2
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Acceptor Count
Property Value
6
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Rotatable Bond Count
Property Value
8
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
481.84718 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
481.84718 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
111 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
18
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
337
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
1
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)
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Similar Compounds (2D)
Similar Conformers (3D)
Same Count
- ChemIDplusCarbamic acid, N,N'-vinylenedi-, dianhydride with iodoacetic acidhttps://pubchem.ncbi.nlm.nih.gov/substance/?source=chemidplus&sourceid=0073622910ChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- Japan Chemical Substance Dictionary (Nikkaji)
- Wikidata
- PubChem
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
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