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1000518-77-3

1000518-77-3 | 3-Pyridineacetic acid, 5-methyl-

CAS No: 1000518-77-3 Catalog No: AG0000P0 MDL No:

Product Description

Catalog Number:
AG0000P0
Chemical Name:
3-Pyridineacetic acid, 5-methyl-
CAS Number:
1000518-77-3
Molecular Formula:
C8H9NO2
Molecular Weight:
151.1626
IUPAC Name:
2-(5-methylpyridin-3-yl)acetic acid
InChI:
InChI=1S/C8H9NO2/c1-6-2-7(3-8(10)11)5-9-4-6/h2,4-5H,3H2,1H3,(H,10,11)
InChI Key:
CNQAFBFTQKCRFV-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1cncc(c1)C

Properties

Complexity:
147  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.063g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
151.165g/mol
Monoisotopic Mass:
151.063g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  

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