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Home > Indoles and Oxindole > 143807-18-5
143807-18-5 | 1H-Isoindol-1-one, octahydro-3-hydroxy-2-(5-methyl-3-isoxazolyl)-
CAS No: 143807-18-5 Catalog No: AG001IDT MDL No:
Product Description
Catalog Number:
AG001IDT
Chemical Name:
1H-Isoindol-1-one, octahydro-3-hydroxy-2-(5-methyl-3-isoxazolyl)-
CAS Number:
143807-18-5
Molecular Formula:
C12H16N2O3
Molecular Weight:
236.2670
IUPAC Name:
3-hydroxy-2-(5-methyl-1,2-oxazol-3-yl)-3a,4,5,6,7,7a-hexahydro-3H-isoindol-1-one
InChI:
InChI=1S/C12H16N2O3/c1-7-6-10(13-17-7)14-11(15)8-4-2-3-5-9(8)12(14)16/h6,8-9,11,15H,2-5H2,1H3
InChI Key:
VARDGPCHDWVGCB-UHFFFAOYSA-N
SMILES:
Cc1onc(c1)N1C(O)C2C(C1=O)CCCC2
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.116g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
236.271g/mol
Monoisotopic Mass:
236.116g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.6A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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