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143850-22-0 | Benzoic acid, 2-[(3-butyn-1-yloxy)sulfonyl]-, methyl ester
CAS No: 143850-22-0 Catalog No: AG001IHJ MDL No:
Product Description
Catalog Number:
AG001IHJ
Chemical Name:
Benzoic acid, 2-[(3-butyn-1-yloxy)sulfonyl]-, methyl ester
CAS Number:
143850-22-0
Molecular Formula:
C12H12O5S
Molecular Weight:
268.2857
IUPAC Name:
methyl 2-but-3-ynoxysulfonylbenzoate
InChI:
InChI=1S/C12H12O5S/c1-3-4-9-17-18(14,15)11-8-6-5-7-10(11)12(13)16-2/h1,5-8H,4,9H2,2H3
InChI Key:
CWQGWNFOAMTRPT-UHFFFAOYSA-N
SMILES:
C#CCCOS(=O)(=O)c1ccccc1C(=O)OC
Properties
Complexity:
425
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.041g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.283g/mol
Monoisotopic Mass:
268.041g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
78A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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