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1022094-44-5 molecular structure
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5-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-2-methoxypyridine

ChemBase ID: 309633
Molecular Formular: C11H16BNO3
Molecular Mass: 221.06064
Monoisotopic Mass: 221.12232378
SMILES and InChIs

SMILES:
B1(c2cnc(cc2)OC)OCC(CO1)(C)C
Canonical SMILES:
COc1ccc(cn1)B1OCC(CO1)(C)C
InChI:
InChI=1S/C11H16BNO3/c1-11(2)7-15-12(16-8-11)9-4-5-10(14-3)13-6-9/h4-6H,7-8H2,1-3H3
InChIKey:
SLCUIRTVNNRLFR-UHFFFAOYSA-N

Cite this record

CBID:309633 http://www.chembase.cn/molecule-309633.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-2-methoxypyridine
IUPAC Traditional name
5-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-2-methoxypyridine
Synonyms
5-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-2-methoxypyridine
CAS Number
1022094-44-5
MDL Number
MFCD06801680

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
LogD (pH = 5.5) 3.2117302  LogD (pH = 7.4) 3.2117991 
Log P 3.2118  Molar Refractivity 55.8436 cm3
Polarizability 23.784351 Å3 Polar Surface Area 40.58 Å2

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
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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