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Home > Other Heterocycles > 30494-27-0
30494-27-0 | Bicyclo[1.1.0]butane-1-carbonitrile, 3-phenyl-
CAS No: 30494-27-0 Catalog No: AG0030D0 MDL No:
Product Description
Catalog Number:
AG0030D0
Chemical Name:
Bicyclo[1.1.0]butane-1-carbonitrile, 3-phenyl-
CAS Number:
30494-27-0
Molecular Formula:
C11H9N
Molecular Weight:
155.1959
IUPAC Name:
3-phenylbicyclo[1.1.0]butane-1-carbonitrile
InChI:
InChI=1S/C11H9N/c12-8-10-6-11(10,7-10)9-4-2-1-3-5-9/h1-5H,6-7H2
InChI Key:
MSSORKFPIJULSK-UHFFFAOYSA-N
SMILES:
N#CC12CC2(C1)c1ccccc1
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.073g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
155.2g/mol
Monoisotopic Mass:
155.073g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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