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24423-87-8 | Isoquinoline,3,4-dihydro-, 2-oxide
CAS No: 24423-87-8 Catalog No: AG007NAE MDL No:
Product Description
Catalog Number:
AG007NAE
Chemical Name:
Isoquinoline,3,4-dihydro-, 2-oxide
CAS Number:
24423-87-8
Molecular Formula:
C9H9NO
Molecular Weight:
147.1739
IUPAC Name:
2-oxido-3,4-dihydroisoquinolin-2-ium
InChI:
InChI=1S/C9H9NO/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-4,7H,5-6H2
InChI Key:
AXQPWUAAOXVGOR-UHFFFAOYSA-N
SMILES:
[O-][N+]1=Cc2c(CC1)cccc2
Properties
Complexity:
176
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:
1
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:
28.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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