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102146-23-6 | 1-Azetidinesulfonic acid, 2-oxo-3-[(2-thienylacetyl)amino]-, (3S)- (9CI)
CAS No: 102146-23-6 Catalog No: AG0006QD MDL No:
Product Description
Catalog Number:
AG0006QD
Chemical Name:
1-Azetidinesulfonic acid, 2-oxo-3-[(2-thienylacetyl)amino]-, (3S)- (9CI)
CAS Number:
102146-23-6
Molecular Formula:
C9H10N2O5S2
Molecular Weight:
290.3161
IUPAC Name:
(3S)-2-oxo-3-[(2-thiophen-2-ylacetyl)amino]azetidine-1-sulfonic acid
InChI:
InChI=1S/C9H10N2O5S2/c12-8(4-6-2-1-3-17-6)10-7-5-11(9(7)13)18(14,15)16/h1-3,7H,4-5H2,(H,10,12)(H,14,15,16)/t7-/m0/s1
InChI Key:
PNIQJDGBIOZSTO-ZETCQYMHSA-N
SMILES:
O=C(N[C@H]1CN(C1=O)S(=O)(=O)O)Cc1cccs1
Properties
Complexity:
458
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
290.003g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
290.308g/mol
Monoisotopic Mass:
290.003g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
140A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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