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6900-93-2 | 2,3,5,9,10,10a-Hexahydro-10-hydroxy-α-methyl-1H,10bH-benzo[ij]quinolizine-10b-propionic acid methyl ester
CAS No: 6900-93-2 Catalog No: AG00FIEI MDL No:
Product Description
Catalog Number:
AG00FIEI
Chemical Name:
2,3,5,9,10,10a-Hexahydro-10-hydroxy-α-methyl-1H,10bH-benzo[ij]quinolizine-10b-propionic acid methyl ester
CAS Number:
6900-93-2
IUPAC Name:
methyl 3-[(8R,9S,13S)-8-hydroxy-1-azatricyclo[7.3.1.05,13]trideca-3,5-dien-13-yl]-2-methylpropanoate
InChI:
InChI=1S/C17H25NO3/c1-12(16(20)21-2)11-17-13-5-3-9-18(17)10-4-6-14(17)15(19)8-7-13/h3,5,7,12,14-15,19H,4,6,8-11H2,1-2H3/t12?,14-,15-,17-/m1/s1
InChI Key:
YHPKLMGYAYSJRU-UYPCIZBGSA-N
Properties
Complexity:
484
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
291.183g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
291.391g/mol
Monoisotopic Mass:
291.183g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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