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84216-35-3 | 4a,9-dimethyl-2,3,4,4a-tetrahydro-1H-carbazolium iodide
CAS No: 84216-35-3 Catalog No: AG01CAZG MDL No:MFCD00229229
Product Description
Catalog Number:
AG01CAZG
Chemical Name:
4a,9-dimethyl-2,3,4,4a-tetrahydro-1H-carbazolium iodide
CAS Number:
84216-35-3
Molecular Formula:
C14H18IN
Molecular Weight:
327.2039
MDL Number:
MFCD00229229
IUPAC Name:
4a,9-dimethyl-1,2,3,4-tetrahydrocarbazol-9-ium;iodide
InChI:
InChI=1S/C14H18N.HI/c1-14-10-6-5-9-13(14)15(2)12-8-4-3-7-11(12)14;/h3-4,7-8H,5-6,9-10H2,1-2H3;1H/q+1;/p-1
InChI Key:
AGUIORUVZBBGFI-UHFFFAOYSA-M
SMILES:
C[N+]1=C2CCCCC2(c2c1cccc2)C.[I-]
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.048g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
327.209g/mol
Monoisotopic Mass:
327.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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