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21917-88-4

21917-88-4 | 8(5H)-Isoquinolinone, 6,7-dihydro-

CAS No: 21917-88-4 Catalog No: AG00I49C MDL No:MFCD07369944

Product Description

Catalog Number:
AG00I49C
Chemical Name:
8(5H)-Isoquinolinone, 6,7-dihydro-
CAS Number:
21917-88-4
Molecular Formula:
C9H9NO
Molecular Weight:
147.1739
MDL Number:
MFCD07369944
IUPAC Name:
6,7-dihydro-5H-isoquinolin-8-one
InChI:
InChI=1S/C9H9NO/c11-9-3-1-2-7-4-5-10-6-8(7)9/h4-6H,1-3H2
InChI Key:
WFZAOWUFFCIBNP-UHFFFAOYSA-N
SMILES:
O=C1CCCc2c1cncc2

Properties

Complexity:
167  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
147.068g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
147.177g/mol
Monoisotopic Mass:
147.068g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  

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