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198478-75-0 | Pyridinium, 2-methyl-1-[(2Z)-3-methyl-2,4-pentadien-1-yl]-, bromide (1:1)
CAS No: 198478-75-0 Catalog No: AG002BJT MDL No:
Product Description
Catalog Number:
AG002BJT
Chemical Name:
Pyridinium, 2-methyl-1-[(2Z)-3-methyl-2,4-pentadien-1-yl]-, bromide (1:1)
CAS Number:
198478-75-0
Molecular Formula:
C12H16BrN
Molecular Weight:
254.1661
IUPAC Name:
2-methyl-1-(3-methylpenta-2,4-dienyl)pyridin-1-ium;bromide
InChI:
InChI=1S/C12H16N.BrH/c1-4-11(2)8-10-13-9-6-5-7-12(13)3;/h4-9H,1,10H2,2-3H3;1H/q+1;/p-1
InChI Key:
KRKRNFGZYNQJER-UHFFFAOYSA-M
SMILES:
C=C/C(=C\C[n+]1ccccc1C)/C.[Br-]
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.047g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.171g/mol
Monoisotopic Mass:
253.047g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
3.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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