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87046-57-9 | 1H-Isoindol-1-one, 2,3-dihydro-3-hydroxy-2-[3-(4-morpholinyl)propyl]-
CAS No: 87046-57-9 Catalog No: AG004GJB MDL No:
Product Description
Catalog Number:
AG004GJB
Chemical Name:
1H-Isoindol-1-one, 2,3-dihydro-3-hydroxy-2-[3-(4-morpholinyl)propyl]-
CAS Number:
87046-57-9
Molecular Formula:
C15H20N2O3
Molecular Weight:
276.3309
IUPAC Name:
3-hydroxy-2-(3-morpholin-4-ylpropyl)-3H-isoindol-1-one
InChI:
InChI=1S/C15H20N2O3/c18-14-12-4-1-2-5-13(12)15(19)17(14)7-3-6-16-8-10-20-11-9-16/h1-2,4-5,14,18H,3,6-11H2
InChI Key:
MCEVUTGMDVABGO-UHFFFAOYSA-N
SMILES:
O=C1c2ccccc2C(N1CCCN1CCOCC1)O
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.147g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
276.336g/mol
Monoisotopic Mass:
276.147g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
53A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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