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1417797-58-0 | Ethyl 4-(2-thiazolyl)-4-oxobutyrate
CAS No: 1417797-58-0 Catalog No: AG01FDX0 MDL No:
Product Description
Catalog Number:
AG01FDX0
Chemical Name:
Ethyl 4-(2-thiazolyl)-4-oxobutyrate
CAS Number:
1417797-58-0
Molecular Formula:
C9H11NO3S
Molecular Weight:
213.2535
IUPAC Name:
ethyl 4-oxo-4-(1,3-thiazol-2-yl)butanoate
InChI:
InChI=1S/C9H11NO3S/c1-2-13-8(12)4-3-7(11)9-10-5-6-14-9/h5-6H,2-4H2,1H3
InChI Key:
VBZQZKWWLHPLCT-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCC(=O)c1nccs1
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.046g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.251g/mol
Monoisotopic Mass:
213.046g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
84.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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