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3421-76-9 | 2-Ethylnicotinic acid
CAS No: 3421-76-9 Catalog No: AG003JW8 MDL No:MFCD18072523
Product Description
Catalog Number:
AG003JW8
Chemical Name:
2-Ethylnicotinic acid
CAS Number:
3421-76-9
Molecular Formula:
C8H9NO2
Molecular Weight:
151.1626
MDL Number:
MFCD18072523
IUPAC Name:
2-ethylpyridine-3-carboxylic acid
InChI:
InChI=1S/C8H9NO2/c1-2-7-6(8(10)11)4-3-5-9-7/h3-5H,2H2,1H3,(H,10,11)
InChI Key:
RESGCFMULOVHHB-UHFFFAOYSA-N
SMILES:
CCc1ncccc1C(=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
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