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52605-97-7 molecular structure
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2,3-dimethoxypyridine

ChemBase ID: 13719
Molecular Formular: C7H9NO2
Molecular Mass: 139.15186
Monoisotopic Mass: 139.06332853
SMILES and InChIs

SMILES:
c1cnc(c(c1)OC)OC
Canonical SMILES:
COc1ncccc1OC
InChI:
InChI=1S/C7H9NO2/c1-9-6-4-3-5-8-7(6)10-2/h3-5H,1-2H3
InChIKey:
QHUHPERZCBUMRK-UHFFFAOYSA-N

Cite this record

CBID:13719 http://www.chembase.cn/molecule-13719.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,3-dimethoxypyridine
IUPAC Traditional name
2,3-dimethoxypyridine
Synonyms
2,3-Dimethoxypyridine
2,3-Dimethoxypyridine
2,3-二甲氧基吡啶
CAS Number
52605-97-7
MDL Number
MFCD03095043
Beilstein Number
1526067
PubChem SID
160977026
PubChem CID
4657809

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.0338606  LogD (pH = 7.4) 1.034678 
Log P 1.0346884  Molar Refractivity 37.141 cm3
Polarizability 14.480115 Å3 Polar Surface Area 31.35 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
98-100°C/16mm expand Show data source
98-100°C/16mm expand Show data source
Density
1.104 expand Show data source
Refractive Index
1.5205 expand Show data source
Storage Warning
IRRITANT expand Show data source
Irritant expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Purity
97% expand Show data source
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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