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113579-32-1 | 2,4-Pentadienoic acid, 5-(2-thienyl)-, ethyl ester
CAS No: 113579-32-1 Catalog No: AG000924 MDL No:
Product Description
Catalog Number:
AG000924
Chemical Name:
2,4-Pentadienoic acid, 5-(2-thienyl)-, ethyl ester
CAS Number:
113579-32-1
Molecular Formula:
C11H12O2S
Molecular Weight:
208.2768
IUPAC Name:
ethyl 5-thiophen-2-ylpenta-2,4-dienoate
InChI:
InChI=1S/C11H12O2S/c1-2-13-11(12)8-4-3-6-10-7-5-9-14-10/h3-9H,2H2,1H3
InChI Key:
SGWMGTOJXQRCGU-UHFFFAOYSA-N
SMILES:
CCOC(=O)C=CC=Cc1cccs1
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.056g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.275g/mol
Monoisotopic Mass:
208.056g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
2.9
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