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184375-98-2 | 4(3H)-Isoquinolinone,3,3-dimethyl-, 2-oxide
CAS No: 184375-98-2 Catalog No: AG0075FY MDL No:
Product Description
Catalog Number:
AG0075FY
Chemical Name:
4(3H)-Isoquinolinone,3,3-dimethyl-, 2-oxide
CAS Number:
184375-98-2
Molecular Formula:
C11H11NO2
Molecular Weight:
189.2105
IUPAC Name:
3,3-dimethyl-2-oxidoisoquinolin-2-ium-4-one
InChI:
InChI=1S/C11H11NO2/c1-11(2)10(13)9-6-4-3-5-8(9)7-12(11)14/h3-7H,1-2H3
InChI Key:
DKFRIHPRWJJCHM-UHFFFAOYSA-N
SMILES:
[O-][N+]1=Cc2ccccc2C(=O)C1(C)C
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.079g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.214g/mol
Monoisotopic Mass:
189.079g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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