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21915-05-9 | 1-METHYL-2-(2-(NAPHTHALEN-1-YL)VINYL)PYRIDINIUM IODIDE
CAS No: 21915-05-9 Catalog No: AG006YLP MDL No:
Product Description
Catalog Number:
AG006YLP
Chemical Name:
1-METHYL-2-(2-(NAPHTHALEN-1-YL)VINYL)PYRIDINIUM IODIDE
CAS Number:
21915-05-9
Molecular Formula:
C18H16IN
Molecular Weight:
373.2308
IUPAC Name:
1-methyl-2-(2-naphthalen-1-ylethenyl)pyridin-1-ium;iodide
InChI:
InChI=1S/C18H16N.HI/c1-19-14-5-4-10-17(19)13-12-16-9-6-8-15-7-2-3-11-18(15)16;/h2-14H,1H3;1H/q+1;/p-1
InChI Key:
YDBPTWNNICMYPY-UHFFFAOYSA-M
SMILES:
C[n+]1ccccc1C=Cc1cccc2c1cccc2.[I-]
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
373.033g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
373.237g/mol
Monoisotopic Mass:
373.033g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
3.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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