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883-50-1 | 3(2H)-Benzothiazolepropanoicacid, 2-oxo-
CAS No: 883-50-1 Catalog No: AG0045EJ MDL No:MFCD00778640
Product Description
Catalog Number:
AG0045EJ
Chemical Name:
3(2H)-Benzothiazolepropanoicacid, 2-oxo-
CAS Number:
883-50-1
Molecular Formula:
C10H9NO3S
Molecular Weight:
223.2484
MDL Number:
MFCD00778640
IUPAC Name:
3-(2-oxo-1,3-benzothiazol-3-yl)propanoic acid
InChI:
InChI=1S/C10H9NO3S/c12-9(13)5-6-11-7-3-1-2-4-8(7)15-10(11)14/h1-4H,5-6H2,(H,12,13)
InChI Key:
MNJIHLQXWFMJRV-UHFFFAOYSA-N
SMILES:
OC(=O)CCn1c(=O)sc2c1cccc2
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:
82.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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 |
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