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51640-00-7 | Acetamide, N-1-isoquinolinyl-
CAS No: 51640-00-7 Catalog No: AG006UQV MDL No:
Product Description
Catalog Number:
AG006UQV
Chemical Name:
Acetamide, N-1-isoquinolinyl-
CAS Number:
51640-00-7
Molecular Formula:
C11H10N2O
Molecular Weight:
186.2099
IUPAC Name:
N-isoquinolin-1-ylacetamide
InChI:
InChI=1S/C11H10N2O/c1-8(14)13-11-10-5-3-2-4-9(10)6-7-12-11/h2-7H,1H3,(H,12,13,14)
InChI Key:
ATVDHPMOVKWWQX-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1nccc2c1cccc2
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.079g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
186.214g/mol
Monoisotopic Mass:
186.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
42A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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