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207552-73-6 | 6-Benzothiazolecarboxylic acid, 2,3-dihydro-2-oxo-, ethyl ester
CAS No: 207552-73-6 Catalog No: AG002J3P MDL No:MFCD20040453
Product Description
Catalog Number:
AG002J3P
Chemical Name:
6-Benzothiazolecarboxylic acid, 2,3-dihydro-2-oxo-, ethyl ester
CAS Number:
207552-73-6
Molecular Formula:
C10H9NO3S
Molecular Weight:
223.2484
MDL Number:
MFCD20040453
IUPAC Name:
ethyl 2-oxo-3H-1,3-benzothiazole-6-carboxylate
InChI:
InChI=1S/C10H9NO3S/c1-2-14-9(12)6-3-4-7-8(5-6)15-10(13)11-7/h3-5H,2H2,1H3,(H,11,13)
InChI Key:
SQSKAZJKRBTRJX-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc2c(c1)sc(=O)[nH]2
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:
80.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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