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Home > Pyridines > 1309672-63-6
1309672-63-6 | 3-Oxo-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)-propionic acid methyl ester
CAS No: 1309672-63-6 Catalog No: AG01F57B MDL No:
Product Description
Catalog Number:
AG01F57B
Chemical Name:
3-Oxo-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)-propionic acid methyl ester
CAS Number:
1309672-63-6
Molecular Formula:
C12H11N3O3
Molecular Weight:
245.2340
IUPAC Name:
methyl 3-oxo-3-(3-pyridin-4-yl-1H-pyrazol-5-yl)propanoate
InChI:
InChI=1S/C12H11N3O3/c1-18-12(17)7-11(16)10-6-9(14-15-10)8-2-4-13-5-3-8/h2-6H,7H2,1H3,(H,14,15)
InChI Key:
VRBZBTAEZNQVQU-UHFFFAOYSA-N
SMILES:
COC(=O)CC(=O)c1cc([nH]n1)c1ccncc1
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.08g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
245.238g/mol
Monoisotopic Mass:
245.08g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
84.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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