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Home > Imidazoles > 89422-31-1
89422-31-1 | 2-Propenenitrile, 3-(1H-imidazol-1-yl)-, (Z)-
CAS No: 89422-31-1 Catalog No: AG0043P4 MDL No:
Product Description
Catalog Number:
AG0043P4
Chemical Name:
2-Propenenitrile, 3-(1H-imidazol-1-yl)-, (Z)-
CAS Number:
89422-31-1
Molecular Formula:
C6H5N3
Molecular Weight:
119.1240
IUPAC Name:
3-imidazol-1-ylprop-2-enenitrile
InChI:
InChI=1S/C6H5N3/c7-2-1-4-9-5-3-8-6-9/h1,3-6H
InChI Key:
UOAMSJWSFIXCLK-UHFFFAOYSA-N
SMILES:
N#C/C=C\n1cncc1
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
119.048g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
119.127g/mol
Monoisotopic Mass:
119.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0
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