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17773-22-7 | 2,5-Thiophenedicarboxylic acid, tetrahydro- (6CI,7CI,8CI,9CI)
CAS No: 17773-22-7 Catalog No: AG0025HU MDL No:
Product Description
Catalog Number:
AG0025HU
Chemical Name:
2,5-Thiophenedicarboxylic acid, tetrahydro- (6CI,7CI,8CI,9CI)
CAS Number:
17773-22-7
Molecular Formula:
C6H8O4S
Molecular Weight:
176.1903
IUPAC Name:
thiolane-2,5-dicarboxylic acid
InChI:
InChI=1S/C6H8O4S/c7-5(8)3-1-2-4(11-3)6(9)10/h3-4H,1-2H2,(H,7,8)(H,9,10)
InChI Key:
VZKPHLAASBCFGX-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCC(S1)C(=O)O
NSC Number:
243797
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.014g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
176.186g/mol
Monoisotopic Mass:
176.014g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
99.9A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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