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Home > Other Heterocycles > 694-25-7
694-25-7 | Bicyclo[1.1.0]butane-1-carbonitrile, 3-methyl-
CAS No: 694-25-7 Catalog No: AG005MDM MDL No:MFCD01088683
Product Description
Catalog Number:
AG005MDM
Chemical Name:
Bicyclo[1.1.0]butane-1-carbonitrile, 3-methyl-
CAS Number:
694-25-7
Molecular Formula:
C6H7N
Molecular Weight:
93.1265
MDL Number:
MFCD01088683
IUPAC Name:
3-methylbicyclo[1.1.0]butane-1-carbonitrile
InChI:
InChI=1S/C6H7N/c1-5-2-6(5,3-5)4-7/h2-3H2,1H3
InChI Key:
OWNDZBODIXJTBD-UHFFFAOYSA-N
SMILES:
N#CC12CC2(C1)C
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
93.058g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
93.129g/mol
Monoisotopic Mass:
93.058g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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