Name: Name:1-(2,5-dimethylbenzenesulfonyl)cyclopentane-1-carboxylic acid
Brand: Angene
SKU: AG019PNG
Rating: 90 (10 reviews)

1-(2,5-dimethylbenzenesulfonyl)cyclopentane-1-carboxylic acid

CAS No.:

923221-20-9

Catalog Number:

AG019PNG

Molecular Formula:

C14H18O4S

Molecular Weight:

282.3553

Catalog Number:

AG019PNG

Chemical Name:

1-(2,5-dimethylbenzenesulfonyl)cyclopentane-1-carboxylic acid

CAS Number:

923221-20-9

Molecular Formula:

C14H18O4S

Molecular Weight:

282.3553

MDL Number:

MFCD08444267

IUPAC Name:

1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxylic acid

InChI:

InChI=1S/C14H18O4S/c1-10-5-6-11(2)12(9-10)19(17,18)14(13(15)16)7-3-4-8-14/h5-6,9H,3-4,7-8H2,1-2H3,(H,15,16)

InChI Key:

ZQMMAZSLYLQABQ-UHFFFAOYSA-N

SMILES:

OC(=O)C1(CCCC1)S(=O)(=O)c1cc(C)ccc1C

Complexity:

443

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

282.093g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

282.354g/mol

Monoisotopic Mass:

282.093g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

79.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.5