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Home > Indoles and Oxindole > 956335-10-7
956335-10-7 | (3aS,5S,7aR)-2-benzyl-5-hydroxy-octahydro-1H-isoindole-1,3-dione
CAS No: 956335-10-7 Catalog No: AG019QB3 MDL No:MFCD09702287
Product Description
Catalog Number:
AG019QB3
Chemical Name:
(3aS,5S,7aR)-2-benzyl-5-hydroxy-octahydro-1H-isoindole-1,3-dione
CAS Number:
956335-10-7
Molecular Formula:
C15H17NO3
Molecular Weight:
259.3004
MDL Number:
MFCD09702287
IUPAC Name:
(3aS,7aR)-2-benzyl-5-hydroxy-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
InChI:
InChI=1S/C15H17NO3/c17-11-6-7-12-13(8-11)15(19)16(14(12)18)9-10-4-2-1-3-5-10/h1-5,11-13,17H,6-9H2/t11?,12-,13+/m1/s1
InChI Key:
UPGLLRCHIDSWQL-HDYSRYHKSA-N
SMILES:
O[C@H]1CC[C@@H]2[C@H](C1)C(=O)N(C2=O)Cc1ccccc1
Properties
Complexity:
376
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
259.121g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
259.305g/mol
Monoisotopic Mass:
259.121g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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