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1378295-24-9 |
CAS No: 1378295-24-9 Catalog No: AG0013WN MDL No:
Product Description
Catalog Number:
AG0013WN
CAS Number:
1378295-24-9
Molecular Formula:
C10H18N2O8S2
Molecular Weight:
358.3885
IUPAC Name:
3-amino-1,1-dioxothiolane-2-carboxylic acid
InChI:
InChI=1S/C5H9NO4S/c6-3-1-2-11(9,10)4(3)5(7)8/h3-4H,1-2,6H2,(H,7,8)
InChI Key:
BRWMMCLCRRORGU-UHFFFAOYSA-N
SMILES:
NC1CCS(=O)(=O)C1C(=O)O.NC1CCS(=O)(=O)C1C(=O)O
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.025g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
179.19g/mol
Monoisotopic Mass:
179.025g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.7
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