Name: Name:Oxetan-3-ylmethyl 4-methylbenzene-1-sulfonate
Brand: Angene
SKU: AG001B75
Rating: 90 (10 reviews)

Oxetan-3-ylmethyl 4-methylbenzene-1-sulfonate

CAS No.:

1395417-57-8

Catalog Number:

AG001B75

Molecular Formula:

C33H42O12S3

Molecular Weight:

726.8744

Catalog Number:

AG001B75

Chemical Name:

Oxetan-3-ylmethyl 4-methylbenzene-1-sulfonate

CAS Number:

1395417-57-8

Molecular Formula:

C33H42O12S3

Molecular Weight:

726.8744

MDL Number:

MFCD27987281

IUPAC Name:

oxetan-3-ylmethyl 4-methylbenzenesulfonate

InChI:

InChI=1S/C11H14O4S/c1-9-2-4-11(5-3-9)16(12,13)15-8-10-6-14-7-10/h2-5,10H,6-8H2,1H3

InChI Key:

DZDXQYOMYPRXBA-UHFFFAOYSA-N

SMILES:

Cc1ccc(cc1)S(=O)(=O)OCC1COC1.Cc1ccc(cc1)S(=O)(=O)OCC1COC1.Cc1ccc(cc1)S(=O)(=O)OCC1COC1

Complexity:

307

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

242.061g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

242.289g/mol

Monoisotopic Mass:

242.061g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

61A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.3