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18103-75-8 | 4-Pyridinecarboxylic acid, 3-mercapto-
CAS No: 18103-75-8 Catalog No: AG0022MD MDL No:
Product Description
Catalog Number:
AG0022MD
Chemical Name:
4-Pyridinecarboxylic acid, 3-mercapto-
CAS Number:
18103-75-8
Molecular Formula:
C6H5NO2S
Molecular Weight:
155.1744
IUPAC Name:
3-sulfanylpyridine-4-carboxylic acid
InChI:
InChI=1S/C6H5NO2S/c8-6(9)4-1-2-7-3-5(4)10/h1-3,10H,(H,8,9)
InChI Key:
FRRCVAYPJRENEV-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccncc1S
Properties
Complexity:
140
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.004g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
155.171g/mol
Monoisotopic Mass:
155.004g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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