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63870-31-5 | 3-ETHYL-2-[3-(3-ETHYL-2-THIAZOLIDINYLIDENE)-1-PROPENYL]-5,6-DIMETHYL-BENZOXAZOLIUM IODIDE
CAS No: 63870-31-5 Catalog No: AG00EDLX MDL No:
Product Description
Catalog Number:
AG00EDLX
Chemical Name:
3-ETHYL-2-[3-(3-ETHYL-2-THIAZOLIDINYLIDENE)-1-PROPENYL]-5,6-DIMETHYL-BENZOXAZOLIUM IODIDE
CAS Number:
63870-31-5
IUPAC Name:
3-ethyl-2-[3-(3-ethyl-1,3-thiazolidin-2-ylidene)prop-1-enyl]-5,6-dimethyl-1,3-benzoxazol-3-ium;iodide
InChI:
InChI=1S/C19H25N2OS.HI/c1-5-20-10-11-23-19(20)9-7-8-18-21(6-2)16-12-14(3)15(4)13-17(16)22-18;/h7-9,12-13H,5-6,10-11H2,1-4H3;1H/q+1;/p-1
InChI Key:
BKEUQOLCUUFPFJ-UHFFFAOYSA-M
EC Number:
264-524-3
Properties
Complexity:
464
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
456.073g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
456.386g/mol
Monoisotopic Mass:
456.073g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
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