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96998-81-1 | Oxazolium, 2-(2-dodecylphenyl)-4,5-dihydro-3,4,4-trimethyl-, iodide
CAS No: 96998-81-1 Catalog No: AG005S9F MDL No:
Product Description
Catalog Number:
AG005S9F
Chemical Name:
Oxazolium, 2-(2-dodecylphenyl)-4,5-dihydro-3,4,4-trimethyl-, iodide
CAS Number:
96998-81-1
Molecular Formula:
C24H40INO
Molecular Weight:
485.4850
IUPAC Name:
2-(2-dodecylphenyl)-3,4,4-trimethyl-5H-1,3-oxazol-3-ium;iodide
InChI:
InChI=1S/C24H40NO.HI/c1-5-6-7-8-9-10-11-12-13-14-17-21-18-15-16-19-22(21)23-25(4)24(2,3)20-26-23;/h15-16,18-19H,5-14,17,20H2,1-4H3;1H/q+1;/p-1
InChI Key:
QEPGXIUESAQJRQ-UHFFFAOYSA-M
SMILES:
CCCCCCCCCCCCc1ccccc1C1=[N+](C)C(CO1)(C)C.[I-]
Properties
Complexity:
426
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
485.215g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
485.494g/mol
Monoisotopic Mass:
485.215g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
12.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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