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30302-64-8 | Benzeneacetic acid, α-(2-thienylmethylene)-, methyl ester, (αE)-
CAS No: 30302-64-8 Catalog No: AG002ZL5 MDL No:MFCD03001283
Product Description
Catalog Number:
AG002ZL5
Chemical Name:
Benzeneacetic acid, α-(2-thienylmethylene)-, methyl ester, (αE)-
CAS Number:
30302-64-8
Molecular Formula:
C14H12O2S
Molecular Weight:
244.3089
MDL Number:
MFCD03001283
IUPAC Name:
methyl (E)-2-phenyl-3-thiophen-2-ylprop-2-enoate
InChI:
InChI=1S/C14H12O2S/c1-16-14(15)13(10-12-8-5-9-17-12)11-6-3-2-4-7-11/h2-10H,1H3/b13-10+
InChI Key:
WFKFCKVQAHHJOW-JLHYYAGUSA-N
SMILES:
COC(=O)/C(=C/c1cccs1)/c1ccccc1
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
244.056g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.308g/mol
Monoisotopic Mass:
244.056g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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