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1055881-23-6 molecular structure
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3-(tetramethyl-1,3,2-dioxaborolan-2-yl)furan-2-carbaldehyde

ChemBase ID: 84804
Molecular Formular: C11H15BO4
Molecular Mass: 222.0454
Monoisotopic Mass: 222.10633936
SMILES and InChIs

SMILES:
B1(c2c(occ2)C=O)OC(C(O1)(C)C)(C)C
Canonical SMILES:
O=Cc1occc1B1OC(C(O1)(C)C)(C)C
InChI:
InChI=1S/C11H15BO4/c1-10(2)11(3,4)16-12(15-10)8-5-6-14-9(8)7-13/h5-7H,1-4H3
InChIKey:
PYPDEWSBYDJVFU-UHFFFAOYSA-N

Cite this record

CBID:84804 http://www.chembase.cn/molecule-84804.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-(tetramethyl-1,3,2-dioxaborolan-2-yl)furan-2-carbaldehyde
IUPAC Traditional name
3-(tetramethyl-1,3,2-dioxaborolan-2-yl)furan-2-carbaldehyde
Synonyms
2-Formylfuran-3-boronic acid pinacol ester
CAS Number
1055881-23-6
MDL Number
MFCD07368242
PubChem SID
162071920
PubChem CID
16414199

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 16414199 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.5243  LogD (pH = 7.4) 2.5243 
Log P 2.5243  Molar Refractivity 54.688 cm3
Polarizability 22.7971 Å3 Polar Surface Area 48.67 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
Irritant expand Show data source
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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