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228271-52-1 | 7(6H)-Isoquinolinone,5,8-dihydro-
CAS No: 228271-52-1 Catalog No: AG007PFP MDL No:MFCD10699406
Product Description
Catalog Number:
AG007PFP
Chemical Name:
7(6H)-Isoquinolinone,5,8-dihydro-
CAS Number:
228271-52-1
Molecular Formula:
C9H9NO
Molecular Weight:
147.1739
MDL Number:
MFCD10699406
IUPAC Name:
6,8-dihydro-5H-isoquinolin-7-one
InChI:
InChI=1S/C9H9NO/c11-9-2-1-7-3-4-10-6-8(7)5-9/h3-4,6H,1-2,5H2
InChI Key:
DYHRRVJSLMPSNY-UHFFFAOYSA-N
SMILES:
O=C1CCc2c(C1)cncc2
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:
0.5
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