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23418-85-1 | But-3-yn-1-yl 4-methylbenzenesulfonate
CAS No: 23418-85-1 Catalog No: AG003J5R MDL No:MFCD00041687
Product Description
Catalog Number:
AG003J5R
Chemical Name:
But-3-yn-1-yl 4-methylbenzenesulfonate
CAS Number:
23418-85-1
Molecular Formula:
C11H12O3S
Molecular Weight:
224.2762
MDL Number:
MFCD00041687
IUPAC Name:
but-3-ynyl 4-methylbenzenesulfonate
InChI:
InChI=1S/C11H12O3S/c1-3-4-9-14-15(12,13)11-7-5-10(2)6-8-11/h1,5-8H,4,9H2,2H3
InChI Key:
STOASOOVVADOKH-UHFFFAOYSA-N
SMILES:
C#CCCOS(=O)(=O)c1ccc(cc1)C
NSC Number:
116062
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.051g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.274g/mol
Monoisotopic Mass:
224.051g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Literature
| Title | Journal |
|---|---|
| Evaluation of 4-[(18)F]fluoro-1-butyne as a radiolabeled synthon for click chemistry with azido compounds. | Applied radiation and isotopes : including data, instrumentation and methods for use in agriculture, industry and medicine 20100201 |
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