Home Other Building Blocks 3-(4-methyl-1,3-thiazol-5-yl)prop-2-enoic acid

3-(4-methyl-1,3-thiazol-5-yl)prop-2-enoic acid

CAS No.:
933718-19-5
Catalog Number:
AG01AFD9
Molecular Formula:
C7H7NO2S
Molecular Weight:
169.2010
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Product Description
Catalog Number:
AG01AFD9
Chemical Name:
3-(4-methyl-1,3-thiazol-5-yl)prop-2-enoic acid
CAS Number:
933718-19-5
Molecular Formula:
C7H7NO2S
Molecular Weight:
169.2010
MDL Number:
MFCD21294043
IUPAC Name:
(E)-3-(4-methyl-1,3-thiazol-5-yl)prop-2-enoic acid
InChI:
InChI=1S/C7H7NO2S/c1-5-6(11-4-8-5)2-3-7(9)10/h2-4H,1H3,(H,9,10)/b3-2+
InChI Key:
FMNDJJGIDWGPPY-NSCUHMNNSA-N
SMILES:
Cc1ncsc1C=CC(=O)O
Properties
Complexity:
181  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
169.02g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
169.198g/mol
Monoisotopic Mass:
169.02g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties