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Home > Aldehydes > 115662-09-4
115662-09-4 | 1H,5H-Benzo[ij]quinolizine-9-carboxaldehyde, 2,3,6,7-tetrahydro-8-hydroxy-1,1,7,7-tetramethyl-
CAS No: 115662-09-4 Catalog No: AG000GP1 MDL No:MFCD00142785
Product Description
Catalog Number:
AG000GP1
Chemical Name:
1H,5H-Benzo[ij]quinolizine-9-carboxaldehyde, 2,3,6,7-tetrahydro-8-hydroxy-1,1,7,7-tetramethyl-
CAS Number:
115662-09-4
Molecular Formula:
C17H23NO2
Molecular Weight:
273.3700
MDL Number:
MFCD00142785
IUPAC Name:
6-hydroxy-4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-carbaldehyde
InChI:
InChI=1S/C17H23NO2/c1-16(2)5-7-18-8-6-17(3,4)13-14(18)12(16)9-11(10-19)15(13)20/h9-10,20H,5-8H2,1-4H3
InChI Key:
ZBVWJSQPIHQKQJ-UHFFFAOYSA-N
SMILES:
O=Cc1cc2c3c(c1O)C(C)(C)CCN3CCC2(C)C
Properties
Complexity:
404
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.173g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
273.376g/mol
Monoisotopic Mass:
273.173g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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