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

3-(thiophen-3-yl)but-2-enoic acid

CAS No.:
1251526-81-4
Catalog Number:
AG01C3WF
Molecular Formula:
C8H8O2S
Molecular Weight:
168.2129
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Product Description
Catalog Number:
AG01C3WF
Chemical Name:
3-(thiophen-3-yl)but-2-enoic acid
CAS Number:
1251526-81-4
Molecular Formula:
C8H8O2S
Molecular Weight:
168.2129
MDL Number:
MFCD29762904
IUPAC Name:
3-thiophen-3-ylbut-2-enoic acid
InChI:
InChI=1S/C8H8O2S/c1-6(4-8(9)10)7-2-3-11-5-7/h2-5H,1H3,(H,9,10)
InChI Key:
JMYHFMLJXLCSJG-UHFFFAOYSA-N
SMILES:
OC(=O)C=C(c1cscc1)C
Properties
Complexity:
187  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.025g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
168.21g/mol
Monoisotopic Mass:
168.025g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
2.2  
Properties