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126856-34-6 | 3-Thiophenecarboxylic acid, tetrahydro-4-oxo-
CAS No: 126856-34-6 Catalog No: AG000TDG MDL No:MFCD06208126
Product Description
Catalog Number:
AG000TDG
Chemical Name:
3-Thiophenecarboxylic acid, tetrahydro-4-oxo-
CAS Number:
126856-34-6
Molecular Formula:
C5H6O3S
Molecular Weight:
146.1643
MDL Number:
MFCD06208126
IUPAC Name:
4-oxothiolane-3-carboxylic acid
InChI:
InChI=1S/C5H6O3S/c6-4-2-9-1-3(4)5(7)8/h3H,1-2H2,(H,7,8)
InChI Key:
UCUOSFKISUJSQS-UHFFFAOYSA-N
SMILES:
OC(=O)C1CSCC1=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:
0.8
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