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35189-41-4 | 1-Azabicyclo[2.2.2]octane-2-carboxaldehyde, 5-ethenyl-
CAS No: 35189-41-4 Catalog No: AG007FJ9 MDL No:
Product Description
Catalog Number:
AG007FJ9
Chemical Name:
1-Azabicyclo[2.2.2]octane-2-carboxaldehyde, 5-ethenyl-
CAS Number:
35189-41-4
Molecular Formula:
C10H15NO
Molecular Weight:
165.2322
IUPAC Name:
5-ethenyl-1-azabicyclo[2.2.2]octane-2-carbaldehyde
InChI:
InChI=1S/C10H15NO/c1-2-8-6-11-4-3-9(8)5-10(11)7-12/h2,7-10H,1,3-6H2
InChI Key:
XOFBWVNDQPANRR-UHFFFAOYSA-N
SMILES:
C=CC1CN2CCC1CC2C=O
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.115g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
165.236g/mol
Monoisotopic Mass:
165.115g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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