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858194-18-0 | Isoquinoline, 7-acetamido-, hydrate (5CI)
CAS No: 858194-18-0 Catalog No: AG00GFER MDL No:
Product Description
Catalog Number:
AG00GFER
Chemical Name:
Isoquinoline, 7-acetamido-, hydrate (5CI)
CAS Number:
858194-18-0
IUPAC Name:
N-isoquinolin-7-ylacetamide;hydrate
InChI:
InChI=1S/C11H10N2O.H2O/c1-8(14)13-11-3-2-9-4-5-12-7-10(9)6-11;/h2-7H,1H3,(H,13,14);1H2
InChI Key:
DUWNCCBSCAMZFN-UHFFFAOYSA-N
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.09g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
204.229g/mol
Monoisotopic Mass:
204.09g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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