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Home > Other Heterocycles > 1194-93-0
1194-93-0 | Bicyclo[3.2.1]oct-2-ene-2-carbonitrile
CAS No: 1194-93-0 Catalog No: AG000IPC MDL No:
Product Description
Catalog Number:
AG000IPC
Chemical Name:
Bicyclo[3.2.1]oct-2-ene-2-carbonitrile
CAS Number:
1194-93-0
Molecular Formula:
C9H11N
Molecular Weight:
133.1903
IUPAC Name:
bicyclo[3.2.1]oct-2-ene-2-carbonitrile
InChI:
InChI=1S/C9H11N/c10-6-9-4-2-7-1-3-8(9)5-7/h4,7-8H,1-3,5H2
InChI Key:
VYGLDVIPEABEQL-UHFFFAOYSA-N
SMILES:
N#CC1=CCC2CC1CC2
NSC Number:
74379
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
133.089g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
133.194g/mol
Monoisotopic Mass:
133.089g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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