Home Carboxys 2-methyl-5-(methylsulfanyl)furan-3-carboxylic acid

2-methyl-5-(methylsulfanyl)furan-3-carboxylic acid

CAS No.:
1989672-14-1
Catalog Number:
AG01B6C6
Molecular Formula:
C7H8O3S
Molecular Weight:
172.2016
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Product Description
Catalog Number:
AG01B6C6
Chemical Name:
2-methyl-5-(methylsulfanyl)furan-3-carboxylic acid
CAS Number:
1989672-14-1
Molecular Formula:
C7H8O3S
Molecular Weight:
172.2016
MDL Number:
MFCD30342799
IUPAC Name:
2-methyl-5-methylsulfanylfuran-3-carboxylic acid
InChI:
InChI=1S/C7H8O3S/c1-4-5(7(8)9)3-6(10-4)11-2/h3H,1-2H3,(H,8,9)
InChI Key:
KDQYOLZLBCIXTQ-UHFFFAOYSA-N
SMILES:
CSc1oc(c(c1)C(=O)O)C
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