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Home > Other Heterocycles > 99032-21-0
99032-21-0 | BICYCLO[2.2.2]OCT-5-ENE-2-CARBOXAMIDE
CAS No: 99032-21-0 Catalog No: AG005T8P MDL No:
Product Description
Catalog Number:
AG005T8P
Chemical Name:
BICYCLO[2.2.2]OCT-5-ENE-2-CARBOXAMIDE
CAS Number:
99032-21-0
Molecular Formula:
C9H13NO
Molecular Weight:
151.2056
IUPAC Name:
bicyclo[2.2.2]oct-5-ene-2-carboxamide
InChI:
InChI=1S/C9H13NO/c10-9(11)8-5-6-1-3-7(8)4-2-6/h1,3,6-8H,2,4-5H2,(H2,10,11)
InChI Key:
DQXDLRXFDPGCRP-UHFFFAOYSA-N
SMILES:
NC(=O)C1CC2CCC1C=C2
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.1g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
151.209g/mol
Monoisotopic Mass:
151.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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