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21917-86-2 | 5(6H)-Isoquinolinone, 7,8-dihydro-
CAS No: 21917-86-2 Catalog No: AG00I49B MDL No:MFCD08235026
Product Description
Catalog Number:
AG00I49B
Chemical Name:
5(6H)-Isoquinolinone, 7,8-dihydro-
CAS Number:
21917-86-2
Molecular Formula:
C9H9NO
Molecular Weight:
147.1739
MDL Number:
MFCD08235026
IUPAC Name:
7,8-dihydro-6H-isoquinolin-5-one
InChI:
InChI=1S/C9H9NO/c11-9-3-1-2-7-6-10-5-4-8(7)9/h4-6H,1-3H2
InChI Key:
AGSMKBYNAKIVTB-UHFFFAOYSA-N
SMILES:
O=C1CCCc2c1ccnc2
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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