200,000+ products from a single source!
sales@angenechem.com
126167-38-2 | Propanoic acid, 3-mercapto-, 4-nitrophenyl ester
CAS No: 126167-38-2 Catalog No: AG000RXY MDL No:
Product Description
Catalog Number:
AG000RXY
Chemical Name:
Propanoic acid, 3-mercapto-, 4-nitrophenyl ester
CAS Number:
126167-38-2
Molecular Formula:
C9H9NO4S
Molecular Weight:
227.2371
IUPAC Name:
(4-nitrophenyl) 3-sulfanylpropanoate
InChI:
InChI=1S/C9H9NO4S/c11-9(5-6-15)14-8-3-1-7(2-4-8)10(12)13/h1-4,15H,5-6H2
InChI Key:
RJOHLSFYBIEDMX-UHFFFAOYSA-N
SMILES:
SCCC(=O)Oc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.025g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
227.234g/mol
Monoisotopic Mass:
227.025g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
73.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.