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62509-87-9 | 2,5,6-TRIMETHYL-3-ETHYLBENZOXAZOLIUM IODIDE
CAS No: 62509-87-9 Catalog No: AG00EDLV MDL No:
Product Description
Catalog Number:
AG00EDLV
Chemical Name:
2,5,6-TRIMETHYL-3-ETHYLBENZOXAZOLIUM IODIDE
CAS Number:
62509-87-9
IUPAC Name:
3-ethyl-2,5,6-trimethyl-1,3-benzoxazol-3-ium;iodide
InChI:
InChI=1S/C12H16NO.HI/c1-5-13-10(4)14-12-7-9(3)8(2)6-11(12)13;/h6-7H,5H2,1-4H3;1H/q+1;/p-1
InChI Key:
QCJKBLIAOOLJMV-UHFFFAOYSA-M
EC Number:
263-579-0
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.028g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
317.17g/mol
Monoisotopic Mass:
317.028g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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