Home Other Building Blocks 3-(3-methylphenyl)-2-(thiophen-2-yl)prop-2-enoic acid

3-(3-methylphenyl)-2-(thiophen-2-yl)prop-2-enoic acid

CAS No.:
852400-10-3
Catalog Number:
AG019O4V
Molecular Formula:
C14H12O2S
Molecular Weight:
244.3089
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Product Description
Catalog Number:
AG019O4V
Chemical Name:
3-(3-methylphenyl)-2-(thiophen-2-yl)prop-2-enoic acid
CAS Number:
852400-10-3
Molecular Formula:
C14H12O2S
Molecular Weight:
244.3089
MDL Number:
MFCD06673461
IUPAC Name:
3-(3-methylphenyl)-2-thiophen-2-ylprop-2-enoic acid
InChI:
InChI=1S/C14H12O2S/c1-10-4-2-5-11(8-10)9-12(14(15)16)13-6-3-7-17-13/h2-9H,1H3,(H,15,16)
InChI Key:
GYILLEGDYCMKQG-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)C=C(c1cccs1)C(=O)O
Properties
Complexity:
311  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.056g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
244.308g/mol
Monoisotopic Mass:
244.056g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
3.6  
Properties