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(2E,4E)-hexa-2,4-dienedinitrile , CAS No.821-60-3
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Storage
Room temperature
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Specifications
Storage
Room temperature
Names and Identifiers
Canonical Smiles
C(=CC#N)C=CC#N
IUPAC Name
(2Z,4Z)-hexa-2,4-dienedinitrile
InChIKey
QLQYLCRMTTXKHS-CCAGOZQPSA-N
INCHI
InChI=1S/C6H4N2/c7-5-3-1-2-4-6-8/h1-4H/b3-1-,4-2-
Molecular Weight
104.11
Advanced Data
3D Structure
Interactive Chemical Structure Model
Certificates (CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
| Molecular Weight | 104.110 g/mol |
|---|---|
| XLogP3 | 0.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 104.037 Da |
| Monoisotopic Mass | 104.037 Da |
| Topological Polar Surface Area | 47.600 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 169.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 2 |
| Covalently-Bonded Unit Count | 1 |
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