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91240-16-3 | tetrahydro-2h-quinolizine-4,6(1h,3h)-dione
CAS No: 91240-16-3 Catalog No: AG006PFI MDL No:
Product Description
Catalog Number:
AG006PFI
Chemical Name:
tetrahydro-2h-quinolizine-4,6(1h,3h)-dione
CAS Number:
91240-16-3
Molecular Formula:
C9H13NO2
Molecular Weight:
167.2050
IUPAC Name:
2,3,7,8,9,9a-hexahydro-1H-quinolizine-4,6-dione
InChI:
InChI=1S/C9H13NO2/c11-8-5-1-3-7-4-2-6-9(12)10(7)8/h7H,1-6H2
InChI Key:
XSTWLZCCGZNCPF-UHFFFAOYSA-N
SMILES:
O=C1CCCC2N1C(=O)CCC2
NSC Number:
123380
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.095g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
167.208g/mol
Monoisotopic Mass:
167.095g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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