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75984-91-7 | 2-Aziridinecarbonitrile, 1-(2-cyano-1-phenylethenyl)-
CAS No: 75984-91-7 Catalog No: AG005GVB MDL No:
Product Description
Catalog Number:
AG005GVB
Chemical Name:
2-Aziridinecarbonitrile, 1-(2-cyano-1-phenylethenyl)-
CAS Number:
75984-91-7
Molecular Formula:
C12H9N3
Molecular Weight:
195.2200
IUPAC Name:
1-(2-cyano-1-phenylethenyl)aziridine-2-carbonitrile
InChI:
InChI=1S/C12H9N3/c13-7-6-12(15-9-11(15)8-14)10-4-2-1-3-5-10/h1-6,11H,9H2
InChI Key:
PXRQJBFQKFGYPW-UHFFFAOYSA-N
SMILES:
N#CC=C(c1ccccc1)N1CC1C#N
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.08g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
195.225g/mol
Monoisotopic Mass:
195.08g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
1.6
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