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Home > Other Heterocycles > 72928-06-4
72928-06-4 | Bicyclo[2.2.1]heptane-2-propanenitrile,b-methylene-
CAS No: 72928-06-4 Catalog No: AG005DWM MDL No:
Product Description
Catalog Number:
AG005DWM
Chemical Name:
Bicyclo[2.2.1]heptane-2-propanenitrile,b-methylene-
CAS Number:
72928-06-4
Molecular Formula:
C11H15N
Molecular Weight:
161.2435
IUPAC Name:
3-(2-bicyclo[2.2.1]heptanyl)but-3-enenitrile
InChI:
InChI=1S/C11H15N/c1-8(4-5-12)11-7-9-2-3-10(11)6-9/h9-11H,1-4,6-7H2
InChI Key:
OAOBTFQDDZCFJD-UHFFFAOYSA-N
SMILES:
N#CCC(=C)C1CC2CC1CC2
EC Number:
277-048-6
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.12g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
161.248g/mol
Monoisotopic Mass:
161.12g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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