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Home Other Building Blocks ETHYL THIOPHENE-3-ACETATE

ETHYL THIOPHENE-3-ACETATE

CAS No.:
37784-63-7
Catalog Number:
AG0034WY
Molecular Formula:
C8H10O2S
Molecular Weight:
170.2288
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Product Description
Catalog Number:
AG0034WY
Chemical Name:
ETHYL THIOPHENE-3-ACETATE
CAS Number:
37784-63-7
Molecular Formula:
C8H10O2S
Molecular Weight:
170.2288
MDL Number:
MFCD00005472
IUPAC Name:
ethyl 2-thiophen-3-ylacetate
InChI:
InChI=1S/C8H10O2S/c1-2-10-8(9)5-7-3-4-11-6-7/h3-4,6H,2,5H2,1H3
InChI Key:
FZBNQIWPYCUPAP-UHFFFAOYSA-N
SMILES:
CCOC(=O)Cc1cscc1
EC Number:
253-665-6
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:
1.8  
Literature
Title Journal
Prediction of genotoxicity of chemical compounds by statistical learning methods. Chemical research in toxicology 20050601
Properties