1-Azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid, 6-(1-hydroxyethyl)-7-oxo-3-(4-pyridinylthio)-, (5R-(5-alpha,6-alpha(R*)))-

Base Information

• Chemical Name: 1-Azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid, 6-(1-hydroxyethyl)-7-oxo-3-(4-pyridinylthio)-, (5R-(5-alpha,6-alpha(R*)))-
• CAS No.: 81520-91-4
• Molecular Formula: C14H14N2O4S
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID201002023
• Wikidata: Q76156451
• Mol file: 81520-91-4.mol

Synonyms:81520-91-4;1-Azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid, 6-(1-hydroxyethyl)-7-oxo-3-(4-pyridinylthio)-, (5R-(5-alpha,6-alpha(R*)))-;DTXSID201002023;LS-22376;6-(1-Hydroxyethyl)-7-oxo-3-[(pyridin-4-yl)sulfanyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Chemical Property of 1-Azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid, 6-(1-hydroxyethyl)-7-oxo-3-(4-pyridinylthio)-, (5R-(5-alpha,6-alpha(R*)))-

Chemical Property:

• Vapor Pressure: 2.86E-13mmHg at 25°C
• Boiling Point: 557.6°C at 760 mmHg
• Flash Point: 291°C
• Density: 1.55g/cm³
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 306.06742811
• Heavy Atom Count: 21
• Complexity: 501

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: CC(C1C2CC(=C(N2C1=O)C(=O)O)SC3=CC=NC=C3)O
• Isomeric SMILES: C[C@H]([C@@H]1[C@H]2CC(=C(N2C1=O)C(=O)O)SC3=CC=NC=C3)O

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