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20857-24-3 | 3-Pyridinecarboxylic acid, 6-acetyl-, ethyl ester
CAS No: 20857-24-3 Catalog No: AG002JRV MDL No:
Product Description
Catalog Number:
AG002JRV
Chemical Name:
3-Pyridinecarboxylic acid, 6-acetyl-, ethyl ester
CAS Number:
20857-24-3
Molecular Formula:
C10H11NO3
Molecular Weight:
193.1992
IUPAC Name:
ethyl 6-acetylpyridine-3-carboxylate
InChI:
InChI=1S/C10H11NO3/c1-3-14-10(13)8-4-5-9(7(2)12)11-6-8/h4-6H,3H2,1-2H3
InChI Key:
DHPDCCVUUOAWFW-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(nc1)C(=O)C
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.074g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
193.202g/mol
Monoisotopic Mass:
193.074g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
56.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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