1-(1H-Imidazol-5-yl)-3-(phosphonooxy)-2-propanone

CAS Registry Number®

99979-59-6
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CAS Name

1-(1H-Imidazol-5-yl)-3-(phosphonooxy)-2-propanone

Molecular Formula

C6H9N2O5P

Molecular Mass

220.12

Cite this Page

1-(1H-Imidazol-5-yl)-3-(phosphonooxy)-2-propanone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=99979-59-6 (retrieved 2024-05-20) (CAS RN: 99979-59-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C6H9N2O5P/c9-6(3-13-14(10,11)12)1-5-2-7-4-8-5/h2,4H,1,3H2,(H,7,8)(H2,10,11,12)

InChIKey

InChIKey=YCFFMSOLUMRAMD-UHFFFAOYSA-N

SMILES

C(C(COP(=O)(O)O)=O)C1=CN=CN1

Canonical SMILES

O=C(COP(=O)(O)O)CC1=CN=CN1

Other Names for this Substance

  • 2-Propanone, 1-(1H-imidazol-5-yl)-3-(phosphonooxy)-
  • 2-Propanone, 1-hydroxy-3-(imidazol-4-yl)-, 1-phosphate
  • 1-(1H-Imidazol-5-yl)-3-(phosphonooxy)-2-propanone
  • 3-(Imidazol-4-yl)-2-oxopropyl phosphate

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