Name: Name:Toluene-4-sulfonic acid 2-cyclopropyl-ethyl ester
Brand: Angene
SKU: AG00EK1A
Rating: 90 (10 reviews)

Toluene-4-sulfonic acid 2-cyclopropyl-ethyl ester

CAS No.:

63064-31-3

Catalog Number:

AG00EK1A

Molecular Formula:

C12H16O3S

Molecular Weight:

240.3186

Catalog Number:

AG00EK1A

Chemical Name:

Toluene-4-sulfonic acid 2-cyclopropyl-ethyl ester

CAS Number:

63064-31-3

Molecular Formula:

C12H16O3S

Molecular Weight:

240.3186

MDL Number:

MFCD15143059

IUPAC Name:

2-cyclopropylethyl 4-methylbenzenesulfonate

InChI:

InChI=1S/C12H16O3S/c1-10-2-6-12(7-3-10)16(13,14)15-9-8-11-4-5-11/h2-3,6-7,11H,4-5,8-9H2,1H3

InChI Key:

JVOCWIRGDNWGKH-UHFFFAOYSA-N

SMILES:

Cc1ccc(cc1)S(=O)(=O)OCCC1CC1

Complexity:

306

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

240.082g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

240.317g/mol

Monoisotopic Mass:

240.082g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

51.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.9