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105847-59-4 | 1H,5H-Benzo[ij]quinolizin-5-one,2,3,6,7-tetrahydro-1-hydroxy-1-methyl-
CAS No: 105847-59-4 Catalog No: AG007WLQ MDL No:
Product Description
Catalog Number:
AG007WLQ
Chemical Name:
1H,5H-Benzo[ij]quinolizin-5-one,2,3,6,7-tetrahydro-1-hydroxy-1-methyl-
CAS Number:
105847-59-4
Molecular Formula:
C13H15NO2
Molecular Weight:
217.2637
IUPAC Name:
4-hydroxy-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-4-carbaldehyde
InChI:
InChI=1S/C13H15NO2/c15-9-13(16)6-8-14-7-2-4-10-3-1-5-11(13)12(10)14/h1,3,5,9,16H,2,4,6-8H2
InChI Key:
ZYHHVCMRQOPEOY-UHFFFAOYSA-N
SMILES:
O=CC1(O)CCN2c3c1cccc3CCC2
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.11g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
217.268g/mol
Monoisotopic Mass:
217.11g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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