200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 28995-22-4
28995-22-4 | 2-Propenoic acid, 3-(4-mercaptophenyl)-
CAS No: 28995-22-4 Catalog No: AG002V5G MDL No:
Product Description
Catalog Number:
AG002V5G
Chemical Name:
2-Propenoic acid, 3-(4-mercaptophenyl)-
CAS Number:
28995-22-4
Molecular Formula:
C9H8O2S
Molecular Weight:
180.2236
IUPAC Name:
3-(4-sulfanylphenyl)prop-2-enoic acid
InChI:
InChI=1S/C9H8O2S/c10-9(11)6-3-7-1-4-8(12)5-2-7/h1-6,12H,(H,10,11)
InChI Key:
SLKXZKKNPSNVQO-UHFFFAOYSA-N
SMILES:
OC(=O)C=Cc1ccc(cc1)S
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.025g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
180.221g/mol
Monoisotopic Mass:
180.025g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.