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Home > Pyridines > 158510-64-6
158510-64-6 | 3-Oxo-4-(pyridin-2-ylsulfanyl)-butyric acid methyl ester
CAS No: 158510-64-6 Catalog No: AG01F7K9 MDL No:
Product Description
Catalog Number:
AG01F7K9
Chemical Name:
3-Oxo-4-(pyridin-2-ylsulfanyl)-butyric acid methyl ester
CAS Number:
158510-64-6
Molecular Formula:
C10H11NO3S
Molecular Weight:
225.2642
IUPAC Name:
methyl 3-oxo-4-pyridin-2-ylsulfanylbutanoate
InChI:
InChI=1S/C10H11NO3S/c1-14-10(13)6-8(12)7-15-9-4-2-3-5-11-9/h2-5H,6-7H2,1H3
InChI Key:
PZHKTIOYUGERFQ-UHFFFAOYSA-N
SMILES:
COC(=O)CC(=O)CSc1ccccn1
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.046g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.262g/mol
Monoisotopic Mass:
225.046g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
81.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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