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163463-80-7 | [2,2':5',2''-Terthiophene]-3'-acetic acid, ethyl ester
CAS No: 163463-80-7 Catalog No: AG001U4Q MDL No:
Product Description
Catalog Number:
AG001U4Q
Chemical Name:
[2,2':5',2''-Terthiophene]-3'-acetic acid, ethyl ester
CAS Number:
163463-80-7
Molecular Formula:
C16H14O2S3
Molecular Weight:
334.4762
IUPAC Name:
ethyl 2-(2,5-dithiophen-2-ylthiophen-3-yl)acetate
InChI:
InChI=1S/C16H14O2S3/c1-2-18-15(17)10-11-9-14(12-5-3-7-19-12)21-16(11)13-6-4-8-20-13/h3-9H,2,10H2,1H3
InChI Key:
NZELHOXCCGMAKM-UHFFFAOYSA-N
SMILES:
CCOC(=O)Cc1cc(sc1c1cccs1)c1cccs1
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.016g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
334.466g/mol
Monoisotopic Mass:
334.016g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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