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Home > Indoles and Oxindole > 73971-21-8
73971-21-8 | 1-Butanone, 1-(1,2,3,5,6,8a-hexahydro-8-indolizinyl)-
CAS No: 73971-21-8 Catalog No: AG005IUS MDL No:
Product Description
Catalog Number:
AG005IUS
Chemical Name:
1-Butanone, 1-(1,2,3,5,6,8a-hexahydro-8-indolizinyl)-
CAS Number:
73971-21-8
Molecular Formula:
C12H19NO
Molecular Weight:
193.2854
IUPAC Name:
1-(1,2,3,5,6,8a-hexahydroindolizin-8-yl)butan-1-one
InChI:
InChI=1S/C12H19NO/c1-2-5-12(14)10-6-3-8-13-9-4-7-11(10)13/h6,11H,2-5,7-9H2,1H3
InChI Key:
PRGCCJPXJZTXMB-UHFFFAOYSA-N
SMILES:
CCCC(=O)C1=CCCN2C1CCC2
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.147g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
193.29g/mol
Monoisotopic Mass:
193.147g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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