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Home > Imidazoles > 98873-55-3
98873-55-3 | 1H-Imidazole-1-acetonitrile
CAS No: 98873-55-3 Catalog No: AG00IK6H MDL No:MFCD06421433
Product Description
Catalog Number:
AG00IK6H
Chemical Name:
1H-Imidazole-1-acetonitrile
CAS Number:
98873-55-3
Molecular Formula:
C5H5N3
Molecular Weight:
107.1133
MDL Number:
MFCD06421433
IUPAC Name:
2-imidazol-1-ylacetonitrile
InChI:
InChI=1S/C5H5N3/c6-1-3-8-4-2-7-5-8/h2,4-5H,3H2
InChI Key:
ZPGCVVBPGQJSPX-UHFFFAOYSA-N
SMILES:
N#CCn1cncc1
Properties
Complexity:
112
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
107.048g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
107.116g/mol
Monoisotopic Mass:
107.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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