Home Aminos 3-amino-1,2-dihydroisoquinolin-1-one

3-amino-1,2-dihydroisoquinolin-1-one

CAS No.:
5597-05-7
Catalog Number:
AG01EI6T
Molecular Formula:
C9H8N2O
Molecular Weight:
160.1726
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Product Description
Catalog Number:
AG01EI6T
Chemical Name:
3-amino-1,2-dihydroisoquinolin-1-one
CAS Number:
5597-05-7
Molecular Formula:
C9H8N2O
Molecular Weight:
160.1726
MDL Number:
MFCD09802099
IUPAC Name:
3-amino-2H-isoquinolin-1-one
InChI:
InChI=1S/C9H8N2O/c10-8-5-6-3-1-2-4-7(6)9(12)11-8/h1-5H,(H3,10,11,12)
InChI Key:
CVOZBLQWQILGIW-UHFFFAOYSA-N
SMILES:
Nc1cc2ccccc2c(=O)[nH]1
Properties
Complexity:
235  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.064g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
160.176g/mol
Monoisotopic Mass:
160.064g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties