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279262-56-5 molecular structure
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[2-(2-ethoxyethoxy)phenyl]boronic acid

ChemBase ID: 291157
Molecular Formular: C10H15BO4
Molecular Mass: 210.0347
Monoisotopic Mass: 210.10633936
SMILES and InChIs

SMILES:
CCOCCOc1ccccc1B(O)O
Canonical SMILES:
CCOCCOc1ccccc1B(O)O
InChI:
InChI=1S/C10H15BO4/c1-2-14-7-8-15-10-6-4-3-5-9(10)11(12)13/h3-6,12-13H,2,7-8H2,1H3
InChIKey:
VXRUZTFMTDDRAR-UHFFFAOYSA-N

Cite this record

CBID:291157 http://www.chembase.cn/molecule-291157.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[2-(2-ethoxyethoxy)phenyl]boronic acid
IUPAC Traditional name
2-(2-ethoxyethoxy)phenylboronic acid
Synonyms
(2-(2-Ethoxyethoxy)phenyl)boronic acid
CAS Number
279262-56-5
MDL Number
MFCD12174698
PubChem SID
180676688
PubChem CID
43457329

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD230831 Please log in.
Data Source Data ID
PubChem 43457329 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 8.4178705  H Acceptors
H Donor LogD (pH = 5.5) 1.5642785 
LogD (pH = 7.4) 1.5252053  Log P 1.5648 
Molar Refractivity 52.8588 cm3 Polarizability 22.27577 Å3
Polar Surface Area 58.92 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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