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13789-94-1 | 2-Benzothiazolecarboxylic acid, 6-ethoxy-
CAS No: 13789-94-1 Catalog No: AG001422 MDL No:MFCD00480815
Product Description
Catalog Number:
AG001422
Chemical Name:
2-Benzothiazolecarboxylic acid, 6-ethoxy-
CAS Number:
13789-94-1
Molecular Formula:
C10H9NO3S
Molecular Weight:
223.2484
MDL Number:
MFCD00480815
IUPAC Name:
6-ethoxy-1,3-benzothiazole-2-carboxylic acid
InChI:
InChI=1S/C10H9NO3S/c1-2-14-6-3-4-7-8(5-6)15-9(11-7)10(12)13/h3-5H,2H2,1H3,(H,12,13)
InChI Key:
RVVPHWORZKOUDL-UHFFFAOYSA-N
SMILES:
CCOc1ccc2c(c1)sc(n2)C(=O)O
Properties
Complexity:
249
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:
5
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:
87.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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