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802828-81-5 | 6-Ethyl-3-pyridinecarboxylic acid
CAS No: 802828-81-5 Catalog No: AG003AIT MDL No:MFCD18256200
Product Description
Catalog Number:
AG003AIT
Chemical Name:
6-Ethyl-3-pyridinecarboxylic acid
CAS Number:
802828-81-5
Molecular Formula:
C8H9NO2
Molecular Weight:
151.1626
MDL Number:
MFCD18256200
IUPAC Name:
6-ethylpyridine-3-carboxylic acid
InChI:
InChI=1S/C8H9NO2/c1-2-7-4-3-6(5-9-7)8(10)11/h3-5H,2H2,1H3,(H,10,11)
InChI Key:
UCTFGXRSWLXPKH-UHFFFAOYSA-N
SMILES:
CCc1ccc(cn1)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
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