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88973-82-4 | 2,4-Hexadienoic acid, 2-thienylmethyl ester, (E,E)-
CAS No: 88973-82-4 Catalog No: AG0046UO MDL No:
Product Description
Catalog Number:
AG0046UO
Chemical Name:
2,4-Hexadienoic acid, 2-thienylmethyl ester, (E,E)-
CAS Number:
88973-82-4
Molecular Formula:
C11H12O2S
Molecular Weight:
208.2768
IUPAC Name:
thiophen-2-ylmethyl hexa-2,4-dienoate
InChI:
InChI=1S/C11H12O2S/c1-2-3-4-7-11(12)13-9-10-6-5-8-14-10/h2-8H,9H2,1H3
InChI Key:
LDDKIAQDCWXXAQ-UHFFFAOYSA-N
SMILES:
C/C=C/C=C/C(=O)OCc1cccs1
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:
2.8
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