200,000+ products from a single source!
sales@angenechem.com
83237-49-4 | 2-(3-(Carboxymethyl);-4-(phenylthio);phenyl);propanoic acid
CAS No: 83237-49-4 Catalog No: AG004U9L MDL No:MFCD09952329
Product Description
Catalog Number:
AG004U9L
Chemical Name:
2-(3-(Carboxymethyl);-4-(phenylthio);phenyl);propanoic acid
CAS Number:
83237-49-4
Molecular Formula:
C17H16O4S
Molecular Weight:
316.3715
MDL Number:
MFCD09952329
IUPAC Name:
2-[3-(carboxymethyl)-4-phenylsulfanylphenyl]propanoic acid
InChI:
InChI=1S/C17H16O4S/c1-11(17(20)21)12-7-8-15(13(9-12)10-16(18)19)22-14-5-3-2-4-6-14/h2-9,11H,10H2,1H3,(H,18,19)(H,20,21)
InChI Key:
HCKQCCUGCHJSOS-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1cc(ccc1Sc1ccccc1)C(C(=O)O)C
Properties
Complexity:
392
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.077g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
316.371g/mol
Monoisotopic Mass:
316.077g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
99.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
Literature
| Title | Journal |
|---|---|
| Bis{μ-2-[3-carboxyl-atometh-yl-4-(phenyl-sulfan-yl)phen-yl]propano-ato-κ(4)O,O':O'',O'''}bis-[(2,2'-bipyridine-κ(2)N,N')cadmium]. | Acta crystallographica. Section E, Structure reports online 20120401 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.