Nsc147129

: Iupac Name：(Z)-hept-2-enenitrile; CAS No.: 22031-56-7; Molecular Weight：109.172g/mol; Modify Date.: 2022-10-28 10:32

1. Names and Identifiers

: 1.1 Name; Nsc147129; 1.2 Synonyms; (E)-hept-2-enenitrile 2-heptenenitrile hept-2-enenitrile Nsc147129 trans-hept-2-enenitrile trans-Hept-2-ennitril

2. Properties

3. MSDS

no data available

no data available

4. Synthesis Route

22031-56-7Total: 19 Synthesis Route

142-61-0 27 Suppliers

22031-56-7 1 Suppliers

Literatures:
Okamoto,Y. et al. Bulletin of the Chemical Society of Japan, 1969 , vol. 42, p. 543 - 545
Yield: ~%

22031-56-7 1 Suppliers

Literatures:
Okamoto,Y. et al. Bulletin of the Chemical Society of Japan, 1969 , vol. 42, p. 543 - 545
Yield: ~%

22031-56-7 1 Suppliers

Literatures:
Okamoto,Y. et al. Bulletin of the Chemical Society of Japan, 1969 , vol. 42, p. 543 - 545
Yield: ~%

5. Computational chemical data

Molecular Weight: 109.172g/molg/mol
Molecular Formula: C₇H₁₁N
Compound Is Canonicalized: True
XLogP3-AA: 2.3
Exact Mass: 109.089149355
Monoisotopic Mass: 109.089149355
Complexity: 105
Rotatable Bond Count: 3
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 1
Topological Polar Surface Area: 23.8
Heavy Atom Count: 8
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 1
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 1
CACTVS Substructure Key Fingerprint: AAADccBiAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHAAAAAAACACBAAACAAAAAACQBCBCAAAgAAAgAAAICAAAAAgAAAIAAQAAAAAAgAAIAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

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