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750649-38-8 | 1H-Isoindole-1,3(2H)-dione, 2-[(1S,3R)-3-(acetyloxy)cyclohexyl]-
CAS No: 750649-38-8 Catalog No: AG00ICLP MDL No:
Product Description
Catalog Number:
AG00ICLP
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[(1S,3R)-3-(acetyloxy)cyclohexyl]-
CAS Number:
750649-38-8
Molecular Formula:
C16H17NO4
Molecular Weight:
287.3105
IUPAC Name:
[(1R,3S)-3-(1,3-dioxoisoindol-2-yl)cyclohexyl] acetate
InChI:
InChI=1S/C16H17NO4/c1-10(18)21-12-6-4-5-11(9-12)17-15(19)13-7-2-3-8-14(13)16(17)20/h2-3,7-8,11-12H,4-6,9H2,1H3/t11-,12+/m0/s1
InChI Key:
ZDNOUOSAVXNPDI-NWDGAFQWSA-N
SMILES:
CC(=O)O[C@@H]1CCC[C@@H](C1)N1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
437
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
287.116g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
287.315g/mol
Monoisotopic Mass:
287.116g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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