200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 89469-51-2
89469-51-2 | Benzoic acid, 2-methoxy-4-[(methylthio)methyl]-
CAS No: 89469-51-2 Catalog No: AG0043QV MDL No:
Product Description
Catalog Number:
AG0043QV
Chemical Name:
Benzoic acid, 2-methoxy-4-[(methylthio)methyl]-
CAS Number:
89469-51-2
Molecular Formula:
C10H12O3S
Molecular Weight:
212.2655
IUPAC Name:
2-methoxy-4-(methylsulfanylmethyl)benzoic acid
InChI:
InChI=1S/C10H12O3S/c1-13-9-5-7(6-14-2)3-4-8(9)10(11)12/h3-5H,6H2,1-2H3,(H,11,12)
InChI Key:
KBGFMGUSOQTRQA-UHFFFAOYSA-N
SMILES:
CSCc1ccc(c(c1)OC)C(=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
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.