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Home Other Building Blocks Ethyl 2-thiopheneacetate

Ethyl 2-thiopheneacetate

CAS No.:
57382-97-5
Catalog Number:
AG00E9J5
Molecular Formula:
C8H10O2S
Molecular Weight:
170.2288
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$19
- +
5g
95%
In Stock USA
United States
$57
- +
25g
95%
In Stock USA
United States
$225
- +
Product Description
Catalog Number:
AG00E9J5
Chemical Name:
Ethyl 2-thiopheneacetate
CAS Number:
57382-97-5
Molecular Formula:
C8H10O2S
Molecular Weight:
170.2288
MDL Number:
MFCD00005457
IUPAC Name:
ethyl 2-thiophen-2-ylacetate
InChI:
InChI=1S/C8H10O2S/c1-2-10-8(9)6-7-4-3-5-11-7/h3-5H,2,6H2,1H3
InChI Key:
QSUANHXENVRFDN-UHFFFAOYSA-N
SMILES:
CCOC(=O)Cc1cccs1
EC Number:
260-715-0
Properties
Complexity:
136  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.04g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.226g/mol
Monoisotopic Mass:
170.04g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Literature
Title Journal
Prediction of genotoxicity of chemical compounds by statistical learning methods. Chemical research in toxicology 20050601
Properties