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88755-06-0 | 4H-Indol-4-one, 3a-[2-(acetyloxy)phenyl]octahydro-1-methyl-, cis-
CAS No: 88755-06-0 Catalog No: AG004CO0 MDL No:
Product Description
Catalog Number:
AG004CO0
Chemical Name:
4H-Indol-4-one, 3a-[2-(acetyloxy)phenyl]octahydro-1-methyl-, cis-
CAS Number:
88755-06-0
Molecular Formula:
C17H21NO3
Molecular Weight:
287.3535
IUPAC Name:
[2-(1-methyl-4-oxo-2,3,5,6,7,7a-hexahydroindol-3a-yl)phenyl] acetate
InChI:
InChI=1S/C17H21NO3/c1-12(19)21-14-7-4-3-6-13(14)17-10-11-18(2)15(17)8-5-9-16(17)20/h3-4,6-7,15H,5,8-11H2,1-2H3
InChI Key:
XMTJCDBTHKTINB-UHFFFAOYSA-N
SMILES:
CC(=O)Oc1ccccc1[C@@]12CCN([C@H]2CCCC1=O)C
Properties
Complexity:
436
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.152g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
287.359g/mol
Monoisotopic Mass:
287.152g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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