Home Carboxys 3-hydroxythiolane-3-carboxylic acid

3-hydroxythiolane-3-carboxylic acid

CAS No.:
1172851-82-9
Catalog Number:
AG01A3LA
Molecular Formula:
C5H8O3S
Molecular Weight:
148.1802
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Product Description
Catalog Number:
AG01A3LA
Chemical Name:
3-hydroxythiolane-3-carboxylic acid
CAS Number:
1172851-82-9
Molecular Formula:
C5H8O3S
Molecular Weight:
148.1802
MDL Number:
MFCD12974321
IUPAC Name:
3-hydroxythiolane-3-carboxylic acid
InChI:
InChI=1S/C5H8O3S/c6-4(7)5(8)1-2-9-3-5/h8H,1-3H2,(H,6,7)
InChI Key:
CXLWIYNXEYYARW-UHFFFAOYSA-N
SMILES:
OC(=O)C1(O)CSCC1
Properties
Complexity:
136  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.019g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
148.176g/mol
Monoisotopic Mass:
148.019g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
82.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2  
Properties