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592-51-8 | Pent-4-enenitrile
CAS No: 592-51-8 Catalog No: AG003LYA MDL No:MFCD00151259
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 |
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