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154757-99-0 | 2-((E)-3-[1-(3-[[3-(DIMETHYL(3-[4-[(E)-3-(3-METHYL-1,3-BENZOXAZOL-3-IUM-2-YL)-2-PROPENYLIDENE]-1(4H)-PYRIDINYL]PROPYL)AMMONIO)PROPYL](DIMETHYL)AMMONIO]PROPYL)-4(1H)-PYRIDINYLIDENE]-1-PROPENYL)-3-METHYL-1,3-BENZOXAZOL-3-IUM TETRAIODIDE
CAS No: 154757-99-0 Catalog No: AG00AYLD MDL No:
Product Description
Catalog Number:
AG00AYLD
Chemical Name:
2-((E)-3-[1-(3-[[3-(DIMETHYL(3-[4-[(E)-3-(3-METHYL-1,3-BENZOXAZOL-3-IUM-2-YL)-2-PROPENYLIDENE]-1(4H)-PYRIDINYL]PROPYL)AMMONIO)PROPYL](DIMETHYL)AMMONIO]PROPYL)-4(1H)-PYRIDINYLIDENE]-1-PROPENYL)-3-METHYL-1,3-BENZOXAZOL-3-IUM TETRAIODIDE
CAS Number:
154757-99-0
IUPAC Name:
2-methylsulfanyl-3,4a-dihydropyrrolo[2,3-d]pyrimidin-4-one
InChI:
InChI=1S/C7H7N3OS/c1-12-7-9-5-4(2-3-8-5)6(11)10-7/h2-4H,1H3,(H,8,9,10,11)
InChI Key:
TUIMYXLDKWBYTA-UHFFFAOYSA-N
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.031g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
181.213g/mol
Monoisotopic Mass:
181.031g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
79.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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