Home Carboxys 5-Oxotetrahydrothiophene-2-carboxylic acid

5-Oxotetrahydrothiophene-2-carboxylic acid

CAS No.:
222046-90-4
Catalog Number:
AG007P7V
Molecular Formula:
C5H6O3S
Molecular Weight:
146.1643
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Product Description
Catalog Number:
AG007P7V
Chemical Name:
5-Oxotetrahydrothiophene-2-carboxylic acid
CAS Number:
222046-90-4
Molecular Formula:
C5H6O3S
Molecular Weight:
146.1643
MDL Number:
MFCD18451483
IUPAC Name:
5-oxothiolane-2-carboxylic acid
InChI:
InChI=1S/C5H6O3S/c6-4-2-1-3(9-4)5(7)8/h3H,1-2H2,(H,7,8)
InChI Key:
PYSNMSYPRJCMOU-UHFFFAOYSA-N
SMILES:
O=C1CCC(S1)C(=O)O
Properties
Complexity:
154  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.004g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
146.16g/mol
Monoisotopic Mass:
146.004g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
79.7A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties