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1001-56-5 | 2,3-Butadienenitrile (8CI,9CI)
CAS No: 1001-56-5 Catalog No: AG0000Y3 MDL No:
Product Description
Catalog Number:
AG0000Y3
Chemical Name:
2,3-Butadienenitrile (8CI,9CI)
CAS Number:
1001-56-5
Molecular Formula:
C4H3N
Molecular Weight:
65.0733
IUPAC Name:
buta-2,3-dienenitrile
InChI:
InChI=1S/C4H3N/c1-2-3-4-5/h3H,1H2
InChI Key:
IRLQAJPIHBZROB-UHFFFAOYSA-N
SMILES:
C=C=CC#N
Properties
Complexity:
98.1
Compound Is Canonicalized:
No
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
65.027g/mol
Formal Charge:
0
Heavy Atom Count:
5
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
65.075g/mol
Monoisotopic Mass:
65.027g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
Literature
| Title | Journal |
|---|---|
| Diastereodivergent behavior of alkyl versus cyano allenylcuprates toward aldehydes: a key role for lithium. | Journal of the American Chemical Society 20110720 |
| Elementary reactions and their role in gas-phase prebiotic chemistry. | International journal of molecular sciences 20090501 |
| A crossed beams study of the reaction of carbon atoms, C(3Pj), with vinyl cyanide, C2H3CN(X 1A')--investigating the formation of cyano propargyl radicals. | Physical chemistry chemical physics : PCCP 20061214 |
| A theoretical study for the reaction of vinyl cyanide C2H3CN(X1A') with the ground state carbon atom C(3P) in cold molecular clouds. | The Journal of chemical physics 20050215 |
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