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489453-23-8 | 2H-ISOQUINOLIN-1-ONE
CAS No: 489453-23-8 Catalog No: AG00DE7Z MDL No:MFCD00489132
Product Description
Catalog Number:
AG00DE7Z
Chemical Name:
2H-ISOQUINOLIN-1-ONE
CAS Number:
489453-23-8
MDL Number:
MFCD00489132
IUPAC Name:
2H-isoquinolin-1-one
InChI:
InChI=1S/C9H7NO/c11-9-8-4-2-1-3-7(8)5-6-10-9/h1-6H,(H,10,11)
InChI Key:
VDBNYAPERZTOOF-UHFFFAOYSA-N
EC Number:
207-732-1
UNII:
95EG3HGG1P
NSC Number:
27273
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
145.053g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
145.161g/mol
Monoisotopic Mass:
145.053g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Literature
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