200,000+ products from a single source!
sales@angenechem.com
41405-51-0 | 3-(2-Thioxo-benzooxazol-3-yl)-propionic acid
CAS No: 41405-51-0 Catalog No: AG00JLK0 MDL No:
Product Description
Catalog Number:
AG00JLK0
Chemical Name:
3-(2-Thioxo-benzooxazol-3-yl)-propionic acid
CAS Number:
41405-51-0
Molecular Formula:
C10H9NO3S
Molecular Weight:
223.2484
IUPAC Name:
3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propanoic acid
InChI:
InChI=1S/C10H9NO3S/c12-9(13)5-6-11-7-3-1-2-4-8(7)14-10(11)15/h1-4H,5-6H2,(H,12,13)
InChI Key:
QUSAZJGKDUUSPZ-UHFFFAOYSA-N
SMILES:
OC(=O)CCn1c(=S)oc2c1cccc2
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.03g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
223.246g/mol
Monoisotopic Mass:
223.03g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
81.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.