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110128-57-9 | Acetamide, N-(1-methoxy-3-isoquinolinyl)-
CAS No: 110128-57-9 Catalog No: AG007DW4 MDL No:
Product Description
Catalog Number:
AG007DW4
Chemical Name:
Acetamide, N-(1-methoxy-3-isoquinolinyl)-
CAS Number:
110128-57-9
Molecular Formula:
C12H12N2O2
Molecular Weight:
216.2359
IUPAC Name:
N-(1-methoxyisoquinolin-3-yl)acetamide
InChI:
InChI=1S/C12H12N2O2/c1-8(15)13-11-7-9-5-3-4-6-10(9)12(14-11)16-2/h3-7H,1-2H3,(H,13,14,15)
InChI Key:
WJHGZLKSSTXMOM-UHFFFAOYSA-N
SMILES:
COc1nc(NC(=O)C)cc2c1cccc2
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.09g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
216.24g/mol
Monoisotopic Mass:
216.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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