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76350-35-1

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Basic Information
CAS No.: 76350-35-1
Name: potassium (2S-cis)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate 4,4-dioxide
Article Data: 2
Molecular Structure:
Molecular Structure of 76350-35-1 (potassium (2S-cis)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate 4,4-dioxide)
Formula: C8H10KNO5S
Molecular Weight: 271.335
Synonyms: 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylicacid, 3,3-dimethyl-7-oxo-, 4,4-dioxide, potassium salt, (2S-cis)-;Potassiumpenicillanate 1,1-dioxide;
EINECS: 278-425-8
PSA: 102.96000
LogP: -1.11100
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Specification

The 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylicacid, 3,3-dimethyl-7-oxo-, 4,4-dioxide, potassium salt, (2S,5R)- (9CI), with the CAS registry number 76350-35-1, is also known as Potassium (2S-cis)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate 4,4-dioxide. Its EINECS registry number is 278-425-8. This chemical's molecular formula is C8H10KNO5S and molecular weight is 271.332. What's more, both its IUPAC name and systematic name are the same which is called Potassium (2S,5R)-3,3-dimethyl-4,4,7-trioxo-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate.

Physical properties about 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylicacid, 3,3-dimethyl-7-oxo-, 4,4-dioxide, potassium salt, (2S,5R)- (9CI) are: (1)#H bond acceptors: 6; (2)#H bond donors: 1; (3)#Freely Rotating Bonds: 1; (4)Polar Surface Area: 102.96 Å2.

You can still convert the following datas into molecular structure:
(1) SMILES: [K+].O=S2(=O)[C@@H]1CC(=O)N1[C@@H](C([O-])=O)C2(C)C
(2) InChI: InChI=1/C8H11NO5S.K/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14;/h5-6H,3H2,1-2H3,(H,11,12);/q;+1/p-1/t5-,6+;/m1./s1
(3) InChIKey: GUTWDTLMHVVPEX-OTSBDZIMBT