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138715-82-9 | 4-Pyridinecarboxylic acid, 2-acetyl-, methyl ester
CAS No: 138715-82-9 Catalog No: AG00192A MDL No:MFCD09032412
Product Description
Catalog Number:
AG00192A
Chemical Name:
4-Pyridinecarboxylic acid, 2-acetyl-, methyl ester
CAS Number:
138715-82-9
Molecular Formula:
C9H9NO3
Molecular Weight:
179.1727
MDL Number:
MFCD09032412
IUPAC Name:
methyl 2-acetylpyridine-4-carboxylate
InChI:
InChI=1S/C9H9NO3/c1-6(11)8-5-7(3-4-10-8)9(12)13-2/h3-5H,1-2H3
InChI Key:
VKPFTQQVEGRJCF-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccnc(c1)C(=O)C
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.058g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
179.175g/mol
Monoisotopic Mass:
179.058g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
56.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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