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Home > Indoles and Oxindole > 404871-27-8
404871-27-8 | Isoindolo[2,1-a]quinazolinium, 5,11-dihydro-6-methyl-5-oxo-, methylsulfate
CAS No: 404871-27-8 Catalog No: AG0077AI MDL No:
Product Description
Catalog Number:
AG0077AI
Chemical Name:
Isoindolo[2,1-a]quinazolinium, 5,11-dihydro-6-methyl-5-oxo-, methylsulfate
CAS Number:
404871-27-8
Molecular Formula:
C17H16N2O5S
Molecular Weight:
360.3843
IUPAC Name:
6-methyl-11H-isoindolo[2,1-a]quinazolin-12-ium-5-one;methyl sulfate
InChI:
InChI=1S/C16H13N2O.CH4O4S/c1-17-15-12-7-3-2-6-11(12)10-18(15)14-9-5-4-8-13(14)16(17)19;1-5-6(2,3)4/h2-9H,10H2,1H3;1H3,(H,2,3,4)/q+1;/p-1
InChI Key:
OTCXCXPKSFPKMZ-UHFFFAOYSA-M
SMILES:
C[n+]1c2c3ccccc3Cn2c2c(c1=O)cccc2.COS(=O)(=O)[O-]
Properties
Complexity:
533
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
360.078g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
360.384g/mol
Monoisotopic Mass:
360.078g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
98.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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