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7295-76-3 molecular structure
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3-methoxypyridine

ChemBase ID: 70999
Molecular Formular: C6H7NO
Molecular Mass: 109.12588
Monoisotopic Mass: 109.05276385
SMILES and InChIs

SMILES:
c1c(cccn1)OC
Canonical SMILES:
COc1cccnc1
InChI:
InChI=1S/C6H7NO/c1-8-6-3-2-4-7-5-6/h2-5H,1H3
InChIKey:
UMJSCPRVCHMLSP-UHFFFAOYSA-N

Cite this record

CBID:70999 http://www.chembase.cn/molecule-70999.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-methoxypyridine
IUPAC Traditional name
3-methyoxypyridine
Synonyms
3-Methoxypyridine
3-Methoxypyridine
2-METHOXYPYRIDINE
3-甲氧基吡啶
CAS Number
7295-76-3
1628-89-3
EC Number
230-730-7
MDL Number
MFCD00673022
PubChem SID
24870620
162036707
PubChem CID
23719

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.5263967  LogD (pH = 7.4) 0.59690434 
Log P 0.5979021  Molar Refractivity 30.3643 cm3
Polarizability 11.945398 Å3 Polar Surface Area 22.12 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
65 °C/15 mmHg(lit.) expand Show data source
65°C/15mm expand Show data source
Flash Point
159.8 °F expand Show data source
71 °C expand Show data source
71°C expand Show data source
Density
1.083 expand Show data source
1.083 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.518(lit.) 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
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-36/37/39 expand Show data source
TSCA Listed
false expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
Purity
95+% expand Show data source
97% expand Show data source
98% expand Show data source
Certificate of Analysis
Download expand Show data source
Empirical Formula (Hill Notation)
C6H7NO expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05205420 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - 469890 external link
Packaging
5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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