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127951-99-9 | 1H-Indole-3-carboxylic acid, octahydro-3-hydroxy-2,6-methano-2H-quinolizin-8-yl ester
CAS No: 127951-99-9 Catalog No: AG000XL6 MDL No:
Product Description
Catalog Number:
AG000XL6
Chemical Name:
1H-Indole-3-carboxylic acid, octahydro-3-hydroxy-2,6-methano-2H-quinolizin-8-yl ester
CAS Number:
127951-99-9
Molecular Formula:
C19H22N2O3
Molecular Weight:
326.3896
IUPAC Name:
(10-hydroxy-8-azatricyclo[5.3.1.03,8]undecan-5-yl) 1H-indole-3-carboxylate
InChI:
InChI=1S/C19H22N2O3/c22-18-10-21-12-5-11(18)6-13(21)8-14(7-12)24-19(23)16-9-20-17-4-2-1-3-15(16)17/h1-4,9,11-14,18,20,22H,5-8,10H2
InChI Key:
MLWGAEVSWJXOQJ-UHFFFAOYSA-N
SMILES:
OC1CN2C3CC1CC2CC(C3)OC(=O)c1c[nH]c2c1cccc2
Properties
Complexity:
497
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.163g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
326.396g/mol
Monoisotopic Mass:
326.163g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
65.6A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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