Home Carboxys 3-Pyridinecarboxylicacid,5-ethyl-(9CI)

3-Pyridinecarboxylicacid,5-ethyl-(9CI)

CAS No.:
3222-53-5
Catalog Number:
AG00CJ9Q
Molecular Formula:
C8H9NO2
Molecular Weight:
151.1626
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Product Description
Catalog Number:
AG00CJ9Q
Chemical Name:
3-Pyridinecarboxylicacid,5-ethyl-(9CI)
CAS Number:
3222-53-5
Molecular Formula:
C8H9NO2
Molecular Weight:
151.1626
MDL Number:
MFCD11043003
IUPAC Name:
5-ethylpyridine-3-carboxylic acid
InChI:
InChI=1S/C8H9NO2/c1-2-6-3-7(8(10)11)5-9-4-6/h3-5H,2H2,1H3,(H,10,11)
InChI Key:
NAYFQDVGAZMKLL-UHFFFAOYSA-N
SMILES:
CCc1cncc(c1)C(=O)O
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:
1.2  
Properties