Home Carboxys 4-hydroxythiane-4-carboxylic acid

4-hydroxythiane-4-carboxylic acid

CAS No.:
50289-21-9
Catalog Number:
AG01A3JS
Molecular Formula:
C6H10O3S
Molecular Weight:
162.2068
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Product Description
Catalog Number:
AG01A3JS
Chemical Name:
4-hydroxythiane-4-carboxylic acid
CAS Number:
50289-21-9
Molecular Formula:
C6H10O3S
Molecular Weight:
162.2068
MDL Number:
MFCD14628640
IUPAC Name:
4-hydroxythiane-4-carboxylic acid
InChI:
InChI=1S/C6H10O3S/c7-5(8)6(9)1-3-10-4-2-6/h9H,1-4H2,(H,7,8)
InChI Key:
FZYKJBAASYSRCW-UHFFFAOYSA-N
SMILES:
OC(=O)C1(O)CCSCC1
Properties
Complexity:
140  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.035g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
162.203g/mol
Monoisotopic Mass:
162.035g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
82.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  
Properties