200,000+ products from a single source!
sales@angenechem.com
730951-32-3 | ethyl 3-oxo-4-(1,1,3-trioxo-2,3-dihydro-1,2-benzothiazol-2-yl)butanoate
CAS No: 730951-32-3 Catalog No: AG019IBU MDL No:MFCD04621690
Product Description
Catalog Number:
AG019IBU
Chemical Name:
ethyl 3-oxo-4-(1,1,3-trioxo-2,3-dihydro-1,2-benzothiazol-2-yl)butanoate
CAS Number:
730951-32-3
Molecular Formula:
C13H13NO6S
Molecular Weight:
311.3104
MDL Number:
MFCD04621690
IUPAC Name:
ethyl 3-oxo-4-(1,1,3-trioxo-1,2-benzothiazol-2-yl)butanoate
InChI:
InChI=1S/C13H13NO6S/c1-2-20-12(16)7-9(15)8-14-13(17)10-5-3-4-6-11(10)21(14,18)19/h3-6H,2,7-8H2,1H3
InChI Key:
BZENDRQFWGLDRW-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC(=O)CN1C(=O)c2c(S1(=O)=O)cccc2
Properties
Complexity:
550
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.046g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
311.308g/mol
Monoisotopic Mass:
311.046g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.