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119122-01-9 | Benz[f]isoquinoline-10b(1H)-carboxylic acid, 2,3,4,4a,5,6-hexahydro-3-methyl-, ethyl ester, (4aR,10bR)-rel-
CAS No: 119122-01-9 Catalog No: AG000I8U MDL No:
Product Description
Catalog Number:
AG000I8U
Chemical Name:
Benz[f]isoquinoline-10b(1H)-carboxylic acid, 2,3,4,4a,5,6-hexahydro-3-methyl-, ethyl ester, (4aR,10bR)-rel-
CAS Number:
119122-01-9
Molecular Formula:
C17H23NO2
Molecular Weight:
273.3700
IUPAC Name:
ethyl (4aS,10bS)-3-methyl-1,2,4,4a,5,6-hexahydrobenzo[f]isoquinoline-10b-carboxylate
InChI:
InChI=1S/C17H23NO2/c1-3-20-16(19)17-10-11-18(2)12-14(17)9-8-13-6-4-5-7-15(13)17/h4-7,14H,3,8-12H2,1-2H3/t14-,17+/m1/s1
InChI Key:
AYAYHFUDSSAHOG-PBHICJAKSA-N
SMILES:
CCOC(=O)[C@]12CCN(C[C@@H]1CCc1c2cccc1)C
Properties
Complexity:
370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
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:
0
Isotope Atom Count:
0
Molecular Weight:
273.376g/mol
Monoisotopic Mass:
273.173g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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