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Home > Other Heterocycles > 101832-55-7
101832-55-7 | Bicyclo[2.2.1]hept-5-ene-2,3-diacetonitrile
CAS No: 101832-55-7 Catalog No: AG0005O8 MDL No:
Product Description
Catalog Number:
AG0005O8
Chemical Name:
Bicyclo[2.2.1]hept-5-ene-2,3-diacetonitrile
CAS Number:
101832-55-7
Molecular Formula:
C11H12N2
Molecular Weight:
172.2264
IUPAC Name:
2-[3-(cyanomethyl)-2-bicyclo[2.2.1]hept-5-enyl]acetonitrile
InChI:
InChI=1S/C11H12N2/c12-5-3-10-8-1-2-9(7-8)11(10)4-6-13/h1-2,8-11H,3-4,7H2
InChI Key:
FCVWUISGWGCJNK-UHFFFAOYSA-N
SMILES:
N#CCC1C2C=CC(C1CC#N)C2
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.1g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.231g/mol
Monoisotopic Mass:
172.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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