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23996-53-4 | 3-(1H-Imidazol-1-yl)propanenitrile
CAS No: 23996-53-4 Catalog No: AG006XNR MDL No:MFCD01910107
Product Description
Catalog Number:
AG006XNR
Chemical Name:
3-(1H-Imidazol-1-yl)propanenitrile
CAS Number:
23996-53-4
Molecular Formula:
C6H7N3
Molecular Weight:
121.1399
MDL Number:
MFCD01910107
IUPAC Name:
3-imidazol-1-ylpropanenitrile
InChI:
InChI=1S/C6H7N3/c7-2-1-4-9-5-3-8-6-9/h3,5-6H,1,4H2
InChI Key:
XEQIISVRKIKCLQ-UHFFFAOYSA-N
SMILES:
N#CCCn1cncc1
Properties
Complexity:
124
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
121.064g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
121.143g/mol
Monoisotopic Mass:
121.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
Literature
| Title | Journal |
|---|---|
| 3-(1H-Imidazol-1-yl)propane-nitrile. | Acta crystallographica. Section E, Structure reports online 20091001 |
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