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748798-56-3

748798-56-3 | Propanoic acid, 3-mercapto-, tetrahydro-2-oxo-3-furanyl ester (9CI)

CAS No: 748798-56-3 Catalog No: AG005GME MDL No:

Product Description

Catalog Number:
AG005GME
Chemical Name:
Propanoic acid, 3-mercapto-, tetrahydro-2-oxo-3-furanyl ester (9CI)
CAS Number:
748798-56-3
Molecular Formula:
C7H10O4S
Molecular Weight:
190.2169
IUPAC Name:
(2-oxooxolan-3-yl) 3-sulfanylpropanoate
InChI:
InChI=1S/C7H10O4S/c8-6(2-4-12)11-5-1-3-10-7(5)9/h5,12H,1-4H2
InChI Key:
GJUBFJCZMFTICE-UHFFFAOYSA-N
SMILES:
SCCC(=O)OC1CCOC1=O

Properties

Complexity:
192  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.03g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
190.213g/mol
Monoisotopic Mass:
190.03g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
53.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  

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