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292045-86-4 | (4bR,9aS,10aS)-9a-methyl-7,8,9,9a,10a,11-hexahydroindeno[1',2':4,5]oxazolo[3,2-a]pyridin-6(4bH)-one
CAS No: 292045-86-4 Catalog No: AG01DHG3 MDL No:
Product Description
Catalog Number:
AG01DHG3
Chemical Name:
(4bR,9aS,10aS)-9a-methyl-7,8,9,9a,10a,11-hexahydroindeno[1',2':4,5]oxazolo[3,2-a]pyridin-6(4bH)-one
CAS Number:
292045-86-4
Molecular Formula:
C15H17NO2
Molecular Weight:
243.3010
IUPAC Name:
(1R,7S,9S)-7-methyl-8-oxa-2-azatetracyclo[7.7.0.02,7.011,16]hexadeca-11,13,15-trien-3-one
InChI:
InChI=1S/C15H17NO2/c1-15-8-4-7-13(17)16(15)14-11-6-3-2-5-10(11)9-12(14)18-15/h2-3,5-6,12,14H,4,7-9H2,1H3/t12-,14+,15-/m0/s1
InChI Key:
DOEOYRKQXAVMBR-CFVMTHIKSA-N
SMILES:
O=C1CCC[C@]2(N1[C@H]1[C@@H](O2)Cc2c1cccc2)C
Properties
Complexity:
383
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
243.126g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.306g/mol
Monoisotopic Mass:
243.126g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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