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51802-42-7 | 2-PROPYL-1H-IMIDAZOLE-4,5-DICARBONITRILE
CAS No: 51802-42-7 Catalog No: AG00DD0Z MDL No:MFCD06200951
Product Description
Catalog Number:
AG00DD0Z
Chemical Name:
2-PROPYL-1H-IMIDAZOLE-4,5-DICARBONITRILE
CAS Number:
51802-42-7
Molecular Formula:
C8H8N4
Molecular Weight:
160.1759
MDL Number:
MFCD06200951
IUPAC Name:
2-propyl-1H-imidazole-4,5-dicarbonitrile
InChI:
InChI=1S/C8H8N4/c1-2-3-8-11-6(4-9)7(5-10)12-8/h2-3H2,1H3,(H,11,12)
InChI Key:
ZPMNPYFFJQWLLV-UHFFFAOYSA-N
SMILES:
CCCc1nc(c([nH]1)C#N)C#N
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.075g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
160.18g/mol
Monoisotopic Mass:
160.075g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
76.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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