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Home > Thiazole > 1083282-21-6
1083282-21-6 | 3-(2,4-Dimethyl-thiazol-5-yl)-3-oxo-propionic acid methyl ester
CAS No: 1083282-21-6 Catalog No: AG01F5XO MDL No:
Product Description
Catalog Number:
AG01F5XO
Chemical Name:
3-(2,4-Dimethyl-thiazol-5-yl)-3-oxo-propionic acid methyl ester
CAS Number:
1083282-21-6
Molecular Formula:
C9H11NO3S
Molecular Weight:
213.2535
IUPAC Name:
methyl 3-(2,4-dimethyl-1,3-thiazol-5-yl)-3-oxopropanoate
InChI:
InChI=1S/C9H11NO3S/c1-5-9(14-6(2)10-5)7(11)4-8(12)13-3/h4H2,1-3H3
InChI Key:
OQYCOBWQDNFXBM-UHFFFAOYSA-N
SMILES:
COC(=O)CC(=O)c1sc(nc1C)C
Properties
Complexity:
244
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:
4
Topological Polar Surface Area:
84.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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