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14918-21-9 | 5-CYANO-1-PENTYNE
CAS No: 14918-21-9 Catalog No: AG003MPB MDL No:MFCD00001978
Product Description
Catalog Number:
AG003MPB
Chemical Name:
5-CYANO-1-PENTYNE
CAS Number:
14918-21-9
Molecular Formula:
C6H7N
Molecular Weight:
93.1265
MDL Number:
MFCD00001978
IUPAC Name:
hex-5-ynenitrile
InChI:
InChI=1S/C6H7N/c1-2-3-4-5-6-7/h1H,3-5H2
InChI Key:
JZYKFLLRVPPISG-UHFFFAOYSA-N
SMILES:
C#CCCCC#N
EC Number:
604-677-9
Properties
Complexity:
118
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
93.058g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
93.129g/mol
Monoisotopic Mass:
93.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
Literature
| Title | Journal |
|---|---|
| Isomer differentiation by combining gas chromatography, selective self-ion/molecule reactions and tandem mass spectrometry in an ion trap mass spectrometer. | Rapid communications in mass spectrometry : RCM 20030101 |
| Regiocontrolled one-step synthesis of 3,3'-disubstituted 2,2'-bipyridine ligands by cobalt(I)-catalyzed cyclotrimerization. | Chemistry (Weinheim an der Bergstrasse, Germany) 20011203 |
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