Home Carboxys 5-methyl-4-(methylsulfanyl)furan-2-carboxylic acid

5-methyl-4-(methylsulfanyl)furan-2-carboxylic acid

CAS No.:
856122-66-2
Catalog Number:
AG01AI7C
Molecular Formula:
C7H8O3S
Molecular Weight:
172.2016
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Product Description
Catalog Number:
AG01AI7C
Chemical Name:
5-methyl-4-(methylsulfanyl)furan-2-carboxylic acid
CAS Number:
856122-66-2
Molecular Formula:
C7H8O3S
Molecular Weight:
172.2016
MDL Number:
MFCD19381865
IUPAC Name:
5-methyl-4-methylsulfanylfuran-2-carboxylic acid
InChI:
InChI=1S/C7H8O3S/c1-4-6(11-2)3-5(10-4)7(8)9/h3H,1-2H3,(H,8,9)
InChI Key:
RPAKSZZUOAUZRS-UHFFFAOYSA-N
SMILES:
CSc1cc(oc1C)C(=O)O
Properties
Complexity:
160  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.019g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
172.198g/mol
Monoisotopic Mass:
172.019g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
75.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties