200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 114086-41-8
114086-41-8 | Benzoic acid, 2-methoxy-4-(methylsulfonyl)-
CAS No: 114086-41-8 Catalog No: AG000AIV MDL No:MFCD25955800
Product Description
Catalog Number:
AG000AIV
Chemical Name:
Benzoic acid, 2-methoxy-4-(methylsulfonyl)-
CAS Number:
114086-41-8
Molecular Formula:
C9H10O5S
Molecular Weight:
230.2377
MDL Number:
MFCD25955800
IUPAC Name:
2-methoxy-4-methylsulfonylbenzoic acid
InChI:
InChI=1S/C9H10O5S/c1-14-8-5-6(15(2,12)13)3-4-7(8)9(10)11/h3-5H,1-2H3,(H,10,11)
InChI Key:
NEQFNMHWZNGLFO-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1C(=O)O)S(=O)(=O)C
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.025g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
230.234g/mol
Monoisotopic Mass:
230.025g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
89A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.