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148638-63-5 | 4H-Thiopyrano[2,3-b]pyridine-3-carboxylic acid, 4-oxo-
CAS No: 148638-63-5 Catalog No: AG001L3A MDL No:
Product Description
Catalog Number:
AG001L3A
Chemical Name:
4H-Thiopyrano[2,3-b]pyridine-3-carboxylic acid, 4-oxo-
CAS Number:
148638-63-5
Molecular Formula:
C9H5NO3S
Molecular Weight:
207.2059
IUPAC Name:
4-oxothiopyrano[2,3-b]pyridine-3-carboxylic acid
InChI:
InChI=1S/C9H5NO3S/c11-7-5-2-1-3-10-8(5)14-4-6(7)9(12)13/h1-4H,(H,12,13)
InChI Key:
XLUGROXTMHOJCW-UHFFFAOYSA-N
SMILES:
OC(=O)c1csc2c(c1=O)cccn2
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.999g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
207.203g/mol
Monoisotopic Mass:
206.999g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
92.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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