200,000+ products from a single source!
sales@angenechem.com
16738-44-6 | Butanoic acid, 4,4-bis(phenylsulfonyl)-, methyl ester
CAS No: 16738-44-6 Catalog No: AG001XCV MDL No:
Product Description
Catalog Number:
AG001XCV
Chemical Name:
Butanoic acid, 4,4-bis(phenylsulfonyl)-, methyl ester
CAS Number:
16738-44-6
Molecular Formula:
C17H18O6S2
Molecular Weight:
382.4512
IUPAC Name:
methyl 4,4-bis(benzenesulfonyl)butanoate
InChI:
InChI=1S/C17H18O6S2/c1-23-16(18)12-13-17(24(19,20)14-8-4-2-5-9-14)25(21,22)15-10-6-3-7-11-15/h2-11,17H,12-13H2,1H3
InChI Key:
RXUKAKCUYMMFCS-UHFFFAOYSA-N
SMILES:
COC(=O)CCC(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1
Properties
Complexity:
582
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
382.054g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
382.445g/mol
Monoisotopic Mass:
382.054g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.