200,000+ products from a single source!
sales@angenechem.com
141764-70-7 | Butanoic acid, 3-oxo-2-[2-(phenylsulfinyl)ethyl]-, ethyl ester
CAS No: 141764-70-7 Catalog No: AG001H0O MDL No:
Product Description
Catalog Number:
AG001H0O
Chemical Name:
Butanoic acid, 3-oxo-2-[2-(phenylsulfinyl)ethyl]-, ethyl ester
CAS Number:
141764-70-7
Molecular Formula:
C14H18O4S
Molecular Weight:
282.3553
IUPAC Name:
ethyl 2-[2-(benzenesulfinyl)ethyl]-3-oxobutanoate
InChI:
InChI=1S/C14H18O4S/c1-3-18-14(16)13(11(2)15)9-10-19(17)12-7-5-4-6-8-12/h4-8,13H,3,9-10H2,1-2H3
InChI Key:
AAYBCKMKJDNOPR-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(=O)C)CCS(=O)c1ccccc1
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.093g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.354g/mol
Monoisotopic Mass:
282.093g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
79.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.