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18164-94-8 | Pyridinium, 1-(2-propen-1-yl)-3-sulfo-, inner salt
CAS No: 18164-94-8 Catalog No: AG00230B MDL No:
Product Description
Catalog Number:
AG00230B
Chemical Name:
Pyridinium, 1-(2-propen-1-yl)-3-sulfo-, inner salt
CAS Number:
18164-94-8
IUPAC Name:
1-prop-2-enylpyridin-1-ium-3-sulfonate
InChI:
InChI=1S/C8H9NO3S/c1-2-5-9-6-3-4-8(7-9)13(10,11)12/h2-4,6-7H,1,5H2
InChI Key:
JEMHLKILWWGOIT-UHFFFAOYSA-N
EC Number:
242-046-6
NSC Number:
158052
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.03g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.224g/mol
Monoisotopic Mass:
199.03g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
69.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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