Penicillanic acid

CAS Registry Number®

87-53-6
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CAS Name

Penicillanic acid

Molecular Formula

C8H11NO3S

Molecular Mass

201.24

Cite this Page

Penicillanic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=87-53-6 (retrieved 2024-04-20) (CAS RN: 87-53-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    208-209 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C8H11NO3S/c1-8(2)6(7(11)12)9-4(10)3-5(9)13-8/h5-6H,3H2,1-2H3,(H,11,12)/t5-,6+/m1/s1

InChIKey

InChIKey=RBKMMJSQKNKNEV-RITPCOANSA-N

SMILES

C(O)(=O)[C@@H]1N2[C@](SC1(C)C)(CC2=O)[H]

Canonical SMILES

O=C(O)C1N2C(=O)CC2SC1(C)C

Other Names for this Substance

  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-, (2S,5R)-
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-, (2S-cis)-
  • (2S,5R)-3,3-Dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
  • Penicillanic acid

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Deleted or Replaced CAS Registry Numbers

129693-31-8, 139595-43-0, 1221908-80-0, 1822575-02-9, 2308580-21-2

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