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1443344-77-1 | Ethyl 5-(2-thiazolyl)-5-oxovalerate
CAS No: 1443344-77-1 Catalog No: AG01FDYF MDL No:
Product Description
Catalog Number:
AG01FDYF
Chemical Name:
Ethyl 5-(2-thiazolyl)-5-oxovalerate
CAS Number:
1443344-77-1
Molecular Formula:
C10H13NO3S
Molecular Weight:
227.2801
IUPAC Name:
ethyl 5-oxo-5-(1,3-thiazol-2-yl)pentanoate
InChI:
InChI=1S/C10H13NO3S/c1-2-14-9(13)5-3-4-8(12)10-11-6-7-15-10/h6-7H,2-5H2,1H3
InChI Key:
CQBMGXDDOLHSCK-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCC(=O)c1nccs1
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.062g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.278g/mol
Monoisotopic Mass:
227.062g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
84.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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