200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 89407-49-8
89407-49-8 | Benzoic acid, 4-butoxy-, 4-(methylthio)phenyl ester
CAS No: 89407-49-8 Catalog No: AG004NDC MDL No:
Product Description
Catalog Number:
AG004NDC
Chemical Name:
Benzoic acid, 4-butoxy-, 4-(methylthio)phenyl ester
CAS Number:
89407-49-8
Molecular Formula:
C18H20O3S
Molecular Weight:
316.4146
IUPAC Name:
(4-methylsulfanylphenyl) 4-butoxybenzoate
InChI:
InChI=1S/C18H20O3S/c1-3-4-13-20-15-7-5-14(6-8-15)18(19)21-16-9-11-17(22-2)12-10-16/h5-12H,3-4,13H2,1-2H3
InChI Key:
HEOTZKLWWWLNQK-UHFFFAOYSA-N
SMILES:
CCCCOc1ccc(cc1)C(=O)Oc1ccc(cc1)SC
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.113g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
316.415g/mol
Monoisotopic Mass:
316.113g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
60.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.