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113849-95-9 | 1,4-Ethanoquinoxalinium, 1,2,3,4-tetrahydro-1-methyl-, iodide (9CI)
CAS No: 113849-95-9 Catalog No: AG0009X2 MDL No:
Product Description
Catalog Number:
AG0009X2
Chemical Name:
1,4-Ethanoquinoxalinium, 1,2,3,4-tetrahydro-1-methyl-, iodide (9CI)
CAS Number:
113849-95-9
Molecular Formula:
C11H15IN2
Molecular Weight:
302.1547
IUPAC Name:
1-methyl-8-aza-1-azoniatricyclo[6.2.2.02,7]dodeca-2,4,6-triene;iodide
InChI:
InChI=1S/C11H15N2.HI/c1-13-8-6-12(7-9-13)10-4-2-3-5-11(10)13;/h2-5H,6-9H2,1H3;1H/q+1;/p-1
InChI Key:
ZDDWMDXPEVCHRA-UHFFFAOYSA-M
SMILES:
C[N+]12CCN(CC1)c1c2cccc1.[I-]
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.028g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
302.159g/mol
Monoisotopic Mass:
302.028g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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