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74470-23-8

74470-23-8 | 2-Methylthio-3-pyridinecarboxylic acid

CAS No: 74470-23-8 Catalog No: AG003F3P MDL No:MFCD00010101

Product Description

Catalog Number:
AG003F3P
Chemical Name:
2-Methylthio-3-pyridinecarboxylic acid
CAS Number:
74470-23-8
Molecular Formula:
C7H7NO2S
Molecular Weight:
169.2010
MDL Number:
MFCD00010101
IUPAC Name:
2-methylsulfanylpyridine-3-carboxylic acid
InChI:
InChI=1S/C7H7NO2S/c1-11-6-5(7(9)10)3-2-4-8-6/h2-4H,1H3,(H,9,10)
InChI Key:
COPSJQVPEUUOKY-UHFFFAOYSA-N
SMILES:
CSc1ncccc1C(=O)O
NSC Number:
95872

Properties

Complexity:
151  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.02g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
169.198g/mol
Monoisotopic Mass:
169.02g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
75.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  

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