200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 101615-66-1
101615-66-1 | Octanoic acid, 4-sulfophenyl ester
CAS No: 101615-66-1 Catalog No: AG0004ZH MDL No:
Product Description
Catalog Number:
AG0004ZH
Chemical Name:
Octanoic acid, 4-sulfophenyl ester
CAS Number:
101615-66-1
Molecular Formula:
C14H20O5S
Molecular Weight:
300.3706
IUPAC Name:
4-octanoyloxybenzenesulfonic acid
InChI:
InChI=1S/C14H20O5S/c1-2-3-4-5-6-7-14(15)19-12-8-10-13(11-9-12)20(16,17)18/h8-11H,2-7H2,1H3,(H,16,17,18)
InChI Key:
KHNBMTJPINZOSC-UHFFFAOYSA-N
SMILES:
CCCCCCCC(=O)Oc1ccc(cc1)S(=O)(=O)O
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.103g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
300.369g/mol
Monoisotopic Mass:
300.103g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
89A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.