200,000+ products from a single source!
sales@angenechem.com
89660-89-9 | Benzoic acid, 2-[[(2,3-dihydro-3-oxo-5-isoxazolyl)methyl]thio]-
CAS No: 89660-89-9 Catalog No: AG0044W3 MDL No:
Product Description
Catalog Number:
AG0044W3
Chemical Name:
Benzoic acid, 2-[[(2,3-dihydro-3-oxo-5-isoxazolyl)methyl]thio]-
CAS Number:
89660-89-9
Molecular Formula:
C11H9NO4S
Molecular Weight:
251.2585
IUPAC Name:
2-[(3-oxo-1,2-oxazol-5-yl)methylsulfanyl]benzoic acid
InChI:
InChI=1S/C11H9NO4S/c13-10-5-7(16-12-10)6-17-9-4-2-1-3-8(9)11(14)15/h1-5H,6H2,(H,12,13)(H,14,15)
InChI Key:
YBWDSMQHMYMEFD-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccccc1SCc1o[nH]c(=O)c1
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.025g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
251.256g/mol
Monoisotopic Mass:
251.025g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.