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89246-46-8 | 1(2H)-Isoquinolinone, 5,6,7,8-tetrahydro-3-hydroxy-4-(1-iminoethyl)-
CAS No: 89246-46-8 Catalog No: AG004268 MDL No:
Product Description
Catalog Number:
AG004268
Chemical Name:
1(2H)-Isoquinolinone, 5,6,7,8-tetrahydro-3-hydroxy-4-(1-iminoethyl)-
CAS Number:
89246-46-8
Molecular Formula:
C11H14N2O2
Molecular Weight:
206.2411
IUPAC Name:
4-ethanimidoyl-1-hydroxy-5,6,7,8-tetrahydro-2H-isoquinolin-3-one
InChI:
InChI=1S/C11H14N2O2/c1-6(12)9-7-4-2-3-5-8(7)10(14)13-11(9)15/h12H,2-5H2,1H3,(H2,13,14,15)
InChI Key:
DWESIEZAPLEMFC-UHFFFAOYSA-N
SMILES:
CC(=N)c1c(O)[nH]c(=O)c2c1CCCC2
Properties
Complexity:
405
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.106g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
206.245g/mol
Monoisotopic Mass:
206.106g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
73.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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