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734529-40-9 | 1(7H)-Isoquinolinone
CAS No: 734529-40-9 Catalog No: AG005O4Y MDL No:
Product Description
Catalog Number:
AG005O4Y
Chemical Name:
1(7H)-Isoquinolinone
CAS Number:
734529-40-9
Molecular Formula:
C9H7NO
Molecular Weight:
145.1580
IUPAC Name:
7H-isoquinolin-1-one
InChI:
InChI=1S/C9H7NO/c11-9-8-4-2-1-3-7(8)5-6-10-9/h1,3-6H,2H2
InChI Key:
HJLMAIQISHSIJF-UHFFFAOYSA-N
SMILES:
O=C1N=CC=C2C1=CCC=C2
Properties
Complexity:
319
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:
0
Isotope Atom Count:
0
Molecular Weight:
145.161g/mol
Monoisotopic Mass:
145.053g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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