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94042-14-5 | Pyridinium, 4-(methoxycarbonyl)-1-propyl-, iodide
CAS No: 94042-14-5 Catalog No: AG005VUG MDL No:
Product Description
Catalog Number:
AG005VUG
Chemical Name:
Pyridinium, 4-(methoxycarbonyl)-1-propyl-, iodide
CAS Number:
94042-14-5
Molecular Formula:
C10H14INO2
Molecular Weight:
307.1281
IUPAC Name:
methyl 1-propylpyridin-1-ium-4-carboxylate;iodide
InChI:
InChI=1S/C10H14NO2.HI/c1-3-6-11-7-4-9(5-8-11)10(12)13-2;/h4-5,7-8H,3,6H2,1-2H3;1H/q+1;/p-1
InChI Key:
WBPGLYPQZQLJNC-UHFFFAOYSA-M
SMILES:
CCC[n+]1ccc(cc1)C(=O)OC.[I-]
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.007g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
307.131g/mol
Monoisotopic Mass:
307.007g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
30.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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