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

C₉H₁₁NO₅CAS 2207-68-3213.19 g/mol

Open in Covalent MOL file

Alcohol Nitro Tertiary Amine

Properties

Molecular formula: C₉H₁₁NO₅
Molar mass: 213.19 g/mol
Exact mass: 213.0637 Da
logP: -0.02Crippen estimate
Polar surface area: 103.8 Å²
H-bond donors / acceptors: 3 / 5
Rotatable bonds: 4

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

Same formula

4,5-Dimethoxy-2-nitrobenzenemethanol1016-58-6 Droxidopa23651-95-8

Elsewhere

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