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18886-85-6 | 1H-Isoindole-1,3(2H)-dione, hexahydro-2-hydroxy-, (3aR,7aS)-rel-
CAS No: 18886-85-6 Catalog No: AG002HFT MDL No:MFCD03085911
Product Description
Catalog Number:
AG002HFT
Chemical Name:
1H-Isoindole-1,3(2H)-dione, hexahydro-2-hydroxy-, (3aR,7aS)-rel-
CAS Number:
18886-85-6
Molecular Formula:
C8H11NO3
Molecular Weight:
169.1778
MDL Number:
MFCD03085911
IUPAC Name:
2-hydroxy-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
InChI:
InChI=1S/C8H11NO3/c10-7-5-3-1-2-4-6(5)8(11)9(7)12/h5-6,12H,1-4H2
InChI Key:
DBWVTDFTWIVIQA-UHFFFAOYSA-N
SMILES:
ON1C(=O)[C@@H]2[C@H](C1=O)CCCC2
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.074g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
169.18g/mol
Monoisotopic Mass:
169.074g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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