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13752-78-8 | 2-Butynenitrile (9CI)
CAS No: 13752-78-8 Catalog No: AG0013HB MDL No:
Product Description
Catalog Number:
AG0013HB
Chemical Name:
2-Butynenitrile (9CI)
CAS Number:
13752-78-8
Molecular Formula:
C4H3N
Molecular Weight:
65.0733
IUPAC Name:
but-2-ynenitrile
InChI:
InChI=1S/C4H3N/c1-2-3-4-5/h1H3
InChI Key:
WNXDCVVDPKHWMW-UHFFFAOYSA-N
SMILES:
CC#CC#N
Properties
Complexity:
112
Compound Is Canonicalized:
Yes
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:
1
Literature
| Title | Journal |
|---|---|
| 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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