Home Other Building Blocks 3-Oxo-3-thiophen-2-yl-propionic acid methyl ester

3-Oxo-3-thiophen-2-yl-propionic acid methyl ester

CAS No.:
134568-16-4
Catalog Number:
AG007ZXI
Molecular Formula:
C8H8O3S
Molecular Weight:
184.2123
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
≥ 98% (GC)
1 week
United States
$126
- +
250mg
≥ 98% (GC)
1 week
United States
$213
- +
1g
≥ 98% (GC)
1 week
United States
$382
- +
Product Description
Catalog Number:
AG007ZXI
Chemical Name:
3-Oxo-3-thiophen-2-yl-propionic acid methyl ester
CAS Number:
134568-16-4
Molecular Formula:
C8H8O3S
Molecular Weight:
184.2123
MDL Number:
MFCD03424761
IUPAC Name:
methyl 3-oxo-3-thiophen-2-ylpropanoate
InChI:
InChI=1S/C8H8O3S/c1-11-8(10)5-6(9)7-3-2-4-12-7/h2-4H,5H2,1H3
InChI Key:
DNCOUBWXEBETIP-UHFFFAOYSA-N
SMILES:
COC(=O)CC(=O)c1cccs1
EC Number:
603-835-4
Properties
Complexity:
191  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.019g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.209g/mol
Monoisotopic Mass:
184.019g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
71.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties