200,000+ products from a single source!
sales@angenechem.com
882980-76-9 | Benzoic acid, 4-(aminosulfonyl)-3-methyl-, methyl ester
CAS No: 882980-76-9 Catalog No: AG0049NL MDL No:MFCD11650725
Product Description
Catalog Number:
AG0049NL
Chemical Name:
Benzoic acid, 4-(aminosulfonyl)-3-methyl-, methyl ester
CAS Number:
882980-76-9
Molecular Formula:
C9H11NO4S
Molecular Weight:
229.2529
MDL Number:
MFCD11650725
IUPAC Name:
methyl 3-methyl-4-sulfamoylbenzoate
InChI:
InChI=1S/C9H11NO4S/c1-6-5-7(9(11)14-2)3-4-8(6)15(10,12)13/h3-5H,1-2H3,(H2,10,12,13)
InChI Key:
JWKLJSNFTQZXAR-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(c1)C)S(=O)(=O)N
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.041g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
229.25g/mol
Monoisotopic Mass:
229.041g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
94.8A^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.