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26296-27-5 | 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-(hydroxymethyl)-8-oxo-, (6R)-
CAS No: 26296-27-5 Catalog No: AG002SLP MDL No:
Product Description
Catalog Number:
AG002SLP
Chemical Name:
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-(hydroxymethyl)-8-oxo-, (6R)-
CAS Number:
26296-27-5
Molecular Formula:
C8H9NO4S
Molecular Weight:
215.2264
IUPAC Name:
(6R)-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
InChI:
InChI=1S/C8H9NO4S/c10-2-4-3-14-6-1-5(11)9(6)7(4)8(12)13/h6,10H,1-3H2,(H,12,13)/t6-/m1/s1
InChI Key:
JWGFQCLMHAYABI-ZCFIWIBFSA-N
SMILES:
OC(=O)C1=C(CO)CS[C@H]2N1C(=O)C2
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
215.025g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
215.223g/mol
Monoisotopic Mass:
215.025g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.4
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