Home Other Building Blocks 7-(5-methylthiophen-2-yl)-4,7-dioxoheptanoic acid

7-(5-methylthiophen-2-yl)-4,7-dioxoheptanoic acid

CAS No.:
1050884-12-2
Catalog Number:
AG019LNW
Molecular Formula:
C12H14O4S
Molecular Weight:
254.3022
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Product Description
Catalog Number:
AG019LNW
Chemical Name:
7-(5-methylthiophen-2-yl)-4,7-dioxoheptanoic acid
CAS Number:
1050884-12-2
Molecular Formula:
C12H14O4S
Molecular Weight:
254.3022
MDL Number:
MFCD09971584
IUPAC Name:
7-(5-methylthiophen-2-yl)-4,7-dioxoheptanoic acid
InChI:
InChI=1S/C12H14O4S/c1-8-2-6-11(17-8)10(14)5-3-9(13)4-7-12(15)16/h2,6H,3-5,7H2,1H3,(H,15,16)
InChI Key:
XGNDWMHRNFGALI-UHFFFAOYSA-N
SMILES:
O=C(CCC(=O)c1ccc(s1)C)CCC(=O)O
Properties
Complexity:
314  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.061g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
254.3g/mol
Monoisotopic Mass:
254.061g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
99.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties