200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 89407-44-3
89407-44-3 | Benzoic acid, 2-ethoxy-4-(methylthio)-
CAS No: 89407-44-3 Catalog No: AG004NDF MDL No:
Product Description
Catalog Number:
AG004NDF
Chemical Name:
Benzoic acid, 2-ethoxy-4-(methylthio)-
CAS Number:
89407-44-3
Molecular Formula:
C10H12O3S
Molecular Weight:
212.2655
IUPAC Name:
2-ethoxy-4-methylsulfanylbenzoic acid
InChI:
InChI=1S/C10H12O3S/c1-3-13-9-6-7(14-2)4-5-8(9)10(11)12/h4-6H,3H2,1-2H3,(H,11,12)
InChI Key:
LMKXRAWKNZUBHY-UHFFFAOYSA-N
SMILES:
CCOc1cc(SC)ccc1C(=O)O
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.051g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
212.263g/mol
Monoisotopic Mass:
212.051g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.