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Home > Indoles and Oxindole > 1214979-31-3
1214979-31-3 | (3aS,7aR)-2-benzyl-5-(hydroxyimino)-octahydro-1H-isoindole-1,3-dione
CAS No: 1214979-31-3 Catalog No: AG019L1R MDL No:MFCD09040694
Product Description
Catalog Number:
AG019L1R
Chemical Name:
(3aS,7aR)-2-benzyl-5-(hydroxyimino)-octahydro-1H-isoindole-1,3-dione
CAS Number:
1214979-31-3
Molecular Formula:
C15H16N2O3
Molecular Weight:
272.2991
MDL Number:
MFCD09040694
IUPAC Name:
(3aR,7aS)-2-benzyl-6-hydroxyimino-4,5,7,7a-tetrahydro-3aH-isoindole-1,3-dione
InChI:
InChI=1S/C15H16N2O3/c18-14-12-7-6-11(16-20)8-13(12)15(19)17(14)9-10-4-2-1-3-5-10/h1-5,12-13,20H,6-9H2/t12-,13+/m1/s1
InChI Key:
DPRQSIIXZGXVLX-OLZOCXBDSA-N
SMILES:
ON=C1CC[C@@H]2[C@H](C1)C(=O)N(C2=O)Cc1ccccc1
Properties
Complexity:
440
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
272.116g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
272.304g/mol
Monoisotopic Mass:
272.116g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
70A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.8
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