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Home Nitriles Pent-4-enenitrile

Pent-4-enenitrile

CAS No.:
592-51-8
Catalog Number:
AG003LYA
Molecular Formula:
C5H7N
Molecular Weight:
81.1158
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Product Description
Catalog Number:
AG003LYA
Chemical Name:
Pent-4-enenitrile
CAS Number:
592-51-8
Molecular Formula:
C5H7N
Molecular Weight:
81.1158
MDL Number:
MFCD00151259
IUPAC Name:
pent-4-enenitrile
InChI:
InChI=1S/C5H7N/c1-2-3-4-5-6/h2H,1,3-4H2
InChI Key:
CFEYBLWMNFZOPB-UHFFFAOYSA-N
SMILES:
C=CCCC#N
EC Number:
209-762-0
UNII:
89HYM37372
Properties
Complexity:
75.2  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
81.058g/mol
Formal Charge:
0
Heavy Atom Count:
6  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
81.118g/mol
Monoisotopic Mass:
81.058g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Literature
Title Journal
Highly selective hydrocyanation of butadiene toward 3-pentenenitrile. Journal of the American Chemical Society 20071024
Composition and antibacterial activity of Pseudocytisus integrifolius (Salisb.) essential oil from Algeria. Journal of agricultural and food chemistry 20050420
Competition and selectivity in the reaction of nitriles on ge(100)-2x1. Journal of the American Chemical Society 20030423
Properties