1-(4-Nitrophenyl)-1,2,3-propanetriol

C9H11NO5CAS 2207-68-3213.19 g/mol

Open in Covalent MOL file
ON+O−OHOHOH
AlcoholNitro

Properties

Molecular formula
C9H11NO5
Molar mass
213.19 g/mol
Exact mass
213.0637 Da
logP
-0.02Crippen estimate
Polar surface area
103.8 Ų
H-bond donors / acceptors
3 / 5
Rotatable bonds
4

Hazards

Warning
Irritant (GHS07)

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
2207-68-3
SMILES
O=[N+]([O-])c1ccc(C(O)C(O)CO)cc1
InChIKey
IUZVZBIQZKBWCC-UHFFFAOYSA-N
InChI
InChI=1S/C9H11NO5/c11-5-8(12)9(13)6-1-3-7(4-2-6)10(14)15/h1-4,8-9,11-13H,5H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names
  • 1,2,3-Propanetriol, 1-(4-nitrophenyl)-
  • 1,2,3-Propanetriol, 1-(p-nitrophenyl)-
  • PNPG
  • 1-(p-Nitrophenyl)-1,2,3-propanetriol
  • 1-(4-Nitrophenyl)glycerol

Work with 1-(4-Nitrophenyl)-1,2,3-propanetriol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Amino-1-(4-nitrophenyl)-1,3-propanediol119-62-069 % similar (1S,2S)-2-Amino-1-(4-nitrophenyl)-1,3-propanediol2964-48-969 % similar Chloramphenicol base716-61-069 % similar Chloramphenicol2787-09-955 % similar (-)-Chloramphenicol56-75-755 % similar 1-Isopropyl-4-nitrobenzene1817-47-647 % similar 4-Nitrobenzyl alcohol619-73-847 % similar 1,4-Dinitrobenzene100-25-447 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4,5-Dimethoxy-2-nitrobenzenemethanol1016-58-6 1,3,5-Trimethoxy-2-nitrobenzene14227-18-0 Droxidopa23651-95-8

Elsewhere

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