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132090-51-8 | ThiodiglycolicAcid-d4
CAS No: 132090-51-8 Catalog No: AG01E0ED MDL No:
Product Description
Catalog Number:
AG01E0ED
Chemical Name:
ThiodiglycolicAcid-d4
CAS Number:
132090-51-8
Molecular Formula:
C4H2D4O4S
Molecular Weight:
154.1777
IUPAC Name:
2-[carboxy(dideuterio)methyl]sulfanyl-2,2-dideuterioacetic acid
InChI:
InChI=1S/C4H6O4S/c5-3(6)1-9-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)/i1D2,2D2
InChI Key:
UVZICZIVKIMRNE-LNLMKGTHSA-N
SMILES:
C([2H])(C(=O)O)(SC(C(=O)O)([2H])[2H])[2H]
Properties
Complexity:
108
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.024g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
4
Molecular Weight:
154.172g/mol
Monoisotopic Mass:
154.024g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
99.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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