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(-)-(1R,2R,4S) oxo-3 bicyclo[2.2.1] heptene-5 exo-carboxylate de methyle structure
(-)-(1R,2R,4S) oxo-3 bicyclo[2.2.1] heptene-5 exo-carboxylate de methyle structure

(-)-(1R,2R,4S) oxo-3 bicyclo[2.2.1] heptene-5 exo-carboxylate de methyle

Iupac Name:5-(hydroxymethyl)-1H-pyridin-2-one
CAS No.:109205-68-7
Molecular Weight:125.12528
1. Names and Identifiers
1.1 Name
(-)-(1R,2R,4S) oxo-3 bicyclo[2.2.1] heptene-5 exo-carboxylate de methyle
1.2 CAS No.
109205-68-7
1.3 CID
12018576
1.4 Molecular Formula
C21H18BRNO4 (isomer)
1.5 Inchi
InChI=1S/C6H7NO2/c8-4-5-1-2-6(9)7-3-5/h1-3,8H,4H2,(H,7,9)
1.6 InChkey
JLPOBAADYFDVAV-UHFFFAOYSA-N
1.7 Canonical Smiles
C1=CC(=O)NC=C1CO
1.8 Isomers Smiles
C1=CC(=O)NC=C1CO
2. 3D Conformer
3. Properties
3.1 Melting Point
285-300°C
3.2 Vapour
4.03E-09mmHg at 25°C
3.3 Refractive Index
1.538
4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

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