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212621-63-1 | ETHYL 3-OXO-3-THIAZOL-2-YL-PROPIONATE
CAS No: 212621-63-1 Catalog No: AG00BEG2 MDL No:MFCD04114372
Product Description
Catalog Number:
AG00BEG2
Chemical Name:
ETHYL 3-OXO-3-THIAZOL-2-YL-PROPIONATE
CAS Number:
212621-63-1
Molecular Formula:
C8H9NO3S
Molecular Weight:
199.2270
MDL Number:
MFCD04114372
IUPAC Name:
ethyl 3-oxo-3-(1,3-thiazol-2-yl)propanoate
InChI:
InChI=1S/C8H9NO3S/c1-2-12-7(11)5-6(10)8-9-3-4-13-8/h3-4H,2,5H2,1H3
InChI Key:
IYGKPDXKHOZVBQ-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC(=O)c1nccs1
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.03g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.224g/mol
Monoisotopic Mass:
199.03g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
84.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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