Home Other Building Blocks ethyl 2-methyl-3-oxo-3-(thiophen-2-yl)propanoate

ethyl 2-methyl-3-oxo-3-(thiophen-2-yl)propanoate

CAS No.:
166180-39-8
Catalog Number:
AG01AK1S
Molecular Formula:
C10H12O3S
Molecular Weight:
212.2655
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Product Description
Catalog Number:
AG01AK1S
Chemical Name:
ethyl 2-methyl-3-oxo-3-(thiophen-2-yl)propanoate
CAS Number:
166180-39-8
Molecular Formula:
C10H12O3S
Molecular Weight:
212.2655
MDL Number:
MFCD06637563
IUPAC Name:
ethyl 2-methyl-3-oxo-3-thiophen-2-ylpropanoate
InChI:
InChI=1S/C10H12O3S/c1-3-13-10(12)7(2)9(11)8-5-4-6-14-8/h4-7H,3H2,1-2H3
InChI Key:
AXWZJOZJORQOKU-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(=O)c1cccs1)C
Properties
Complexity:
227  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.051g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.263g/mol
Monoisotopic Mass:
212.051g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
71.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties