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1260771-16-1 | 4-Pyridineacetic acid, 3-acetyl-, ethyl ester
CAS No: 1260771-16-1 Catalog No: AG000R6A MDL No:
Product Description
Catalog Number:
AG000R6A
Chemical Name:
4-Pyridineacetic acid, 3-acetyl-, ethyl ester
CAS Number:
1260771-16-1
Molecular Formula:
C11H13NO3
Molecular Weight:
207.2258
IUPAC Name:
ethyl 2-(3-acetylpyridin-4-yl)acetate
InChI:
InChI=1S/C11H13NO3/c1-3-15-11(14)6-9-4-5-12-7-10(9)8(2)13/h4-5,7H,3,6H2,1-2H3
InChI Key:
HVQQLQQJRDGSJP-UHFFFAOYSA-N
SMILES:
CCOC(=O)Cc1ccncc1C(=O)C
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.09g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.229g/mol
Monoisotopic Mass:
207.09g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
56.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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