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87636-25-7 | Methyl 6-(2-thiazolyl)-6-oxohexanoate
CAS No: 87636-25-7 Catalog No: AG01FD9M MDL No:
Product Description
Catalog Number:
AG01FD9M
Chemical Name:
Methyl 6-(2-thiazolyl)-6-oxohexanoate
CAS Number:
87636-25-7
Molecular Formula:
C10H13NO3S
Molecular Weight:
227.2801
IUPAC Name:
methyl 6-oxo-6-(1,3-thiazol-2-yl)hexanoate
InChI:
InChI=1S/C10H13NO3S/c1-14-9(13)5-3-2-4-8(12)10-11-6-7-15-10/h6-7H,2-5H2,1H3
InChI Key:
JZFYVDBMBSWNQI-UHFFFAOYSA-N
SMILES:
COC(=O)CCCCC(=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:
1.4
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