2-(2-Nitroethyl)-1,3-dioxolane

C₅H₉NO₄CAS 82891-99-4147.13 g/mol

Open in Covalent MOL file

Acetal Ether Nitro

Properties

Molecular formula: C₅H₉NO₄
Molar mass: 147.13 g/mol
Exact mass: 147.0532 Da
logP: 0.03Crippen estimate
Polar surface area: 61.6 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

82891-99-4

SMILES

C1COC(O1)CC[N+](=O)[O-]

InChIKey

ZYXOSRQIZOOVTN-UHFFFAOYSA-N

InChI

InChI=1S/C5H9NO4/c7-6(8)2-1-5-9-3-4-10-5/h5H,1-4H2

Weigh it out

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Names and synonyms

1 names

2-(2-Nitroethyl)-[1,3]dioxolane

Work with 2-(2-Nitroethyl)-1,3-dioxolane

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

1,4-Dinitrobutane4286-49-144 % similar 1-Nitropropane108-03-239 % similar 2-Nitroethanol625-48-939 % similar 1-Nitrobutane627-05-437 % similar 2-(2-Bromoethyl)-1,3-dioxolane18742-02-436 % similar 1,3-Dioxolane-2-ethanamine5754-35-836 % similar Beta-nitropropionic acid504-88-133 % similar 2-(4-Bromobutyl)-1,3-dioxolane87227-41-632 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

(3S)-3-Amino-4-methoxy-4-oxobutanoic acid17812-32-7 Aspartic acid beta-methyl ester2177-62-0 Poly(L-glutamic acid)25513-46-6 N-Methyl-L-aspartic acid4226-18-0 Methyliminodiacetic acid4408-64-4 O-Acetylserine5147-00-2 Glutamic acid56-86-0 Glutamic acid617-65-2

Elsewhere

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