Home Carboxys 1-hydroxy-6-sulfanylidene-1,6-dihydropyridine-2-carboxylic acid

1-hydroxy-6-sulfanylidene-1,6-dihydropyridine-2-carboxylic acid

CAS No.:
131490-25-0
Catalog Number:
AG01BB5J
Molecular Formula:
C6H5NO3S
Molecular Weight:
171.1738
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Product Description
Catalog Number:
AG01BB5J
Chemical Name:
1-hydroxy-6-sulfanylidene-1,6-dihydropyridine-2-carboxylic acid
CAS Number:
131490-25-0
Molecular Formula:
C6H5NO3S
Molecular Weight:
171.1738
MDL Number:
MFCD20646150
IUPAC Name:
1-hydroxy-6-sulfanylidenepyridine-2-carboxylic acid
InChI:
InChI=1S/C6H5NO3S/c8-6(9)4-2-1-3-5(11)7(4)10/h1-3,10H,(H,8,9)
InChI Key:
BNYCWOPXGQKREA-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(=S)n1O
Properties
Complexity:
269  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.999g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
171.17g/mol
Monoisotopic Mass:
170.999g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
92.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties