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114065-91-7 | Oxazolium, 4,5-dihydro-3,4,4-trimethyl-2-nonyl-, iodide (1:1)
CAS No: 114065-91-7 Catalog No: AG000AG6 MDL No:
Product Description
Catalog Number:
AG000AG6
Chemical Name:
Oxazolium, 4,5-dihydro-3,4,4-trimethyl-2-nonyl-, iodide (1:1)
CAS Number:
114065-91-7
Molecular Formula:
C15H30INO
Molecular Weight:
367.3093
IUPAC Name:
3,4,4-trimethyl-2-nonyl-5H-1,3-oxazol-3-ium;iodide
InChI:
InChI=1S/C15H30NO.HI/c1-5-6-7-8-9-10-11-12-14-16(4)15(2,3)13-17-14;/h5-13H2,1-4H3;1H/q+1;/p-1
InChI Key:
CNHBJHXNVZSUIU-UHFFFAOYSA-M
SMILES:
CCCCCCCCCC1=[N+](C)C(CO1)(C)C.[I-]
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
367.137g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
367.315g/mol
Monoisotopic Mass:
367.137g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
12.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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