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101025-91-6 | 3-Pyridinepropanoic acid, 5-(methoxycarbonyl)-β-oxo-, methyl ester
CAS No: 101025-91-6 Catalog No: AG0003KG MDL No:
Product Description
Catalog Number:
AG0003KG
Chemical Name:
3-Pyridinepropanoic acid, 5-(methoxycarbonyl)-β-oxo-, methyl ester
CAS Number:
101025-91-6
Molecular Formula:
C11H11NO5
Molecular Weight:
237.2087
IUPAC Name:
methyl 5-(3-methoxy-3-oxopropanoyl)pyridine-3-carboxylate
InChI:
InChI=1S/C11H11NO5/c1-16-10(14)4-9(13)7-3-8(6-12-5-7)11(15)17-2/h3,5-6H,4H2,1-2H3
InChI Key:
AIEQZDVARBCWDH-UHFFFAOYSA-N
SMILES:
COC(=O)CC(=O)c1cncc(c1)C(=O)OC
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.064g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.211g/mol
Monoisotopic Mass:
237.064g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
82.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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