Name: Name:2,2-dimethyl-3-[(4-methylbenzenesulfonyl)oxy]propan-1-ol
Brand: Angene
SKU: AG01BCDN
Rating: 90 (10 reviews)

2,2-dimethyl-3-[(4-methylbenzenesulfonyl)oxy]propan-1-ol

CAS No.:

21651-04-7

Catalog Number:

AG01BCDN

Molecular Formula:

C12H18O4S

Molecular Weight:

258.3339

Catalog Number:

AG01BCDN

Chemical Name:

2,2-dimethyl-3-[(4-methylbenzenesulfonyl)oxy]propan-1-ol

CAS Number:

21651-04-7

Molecular Formula:

C12H18O4S

Molecular Weight:

258.3339

MDL Number:

MFCD28127596

IUPAC Name:

(3-hydroxy-2,2-dimethylpropyl) 4-methylbenzenesulfonate

InChI:

InChI=1S/C12H18O4S/c1-10-4-6-11(7-5-10)17(14,15)16-9-12(2,3)8-13/h4-7,13H,8-9H2,1-3H3

InChI Key:

GLIAEEACYRUJKS-UHFFFAOYSA-N

SMILES:

OCC(COS(=O)(=O)c1ccc(cc1)C)(C)C

Complexity:

321

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

258.093g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

258.332g/mol

Monoisotopic Mass:

258.093g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

72A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.9