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1202245-69-9 molecular structure
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(1-cyclohexylethenyl)boronic acid

ChemBase ID: 291044
Molecular Formular: C8H15BO2
Molecular Mass: 154.0145
Monoisotopic Mass: 154.11651012
SMILES and InChIs

SMILES:
C=C(B(O)O)C1CCCCC1
Canonical SMILES:
OB(C(=C)C1CCCCC1)O
InChI:
InChI=1S/C8H15BO2/c1-7(9(10)11)8-5-3-2-4-6-8/h8,10-11H,1-6H2
InChIKey:
SPCSBKCAYWOACG-UHFFFAOYSA-N

Cite this record

CBID:291044 http://www.chembase.cn/molecule-291044.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(1-cyclohexylethenyl)boronic acid
IUPAC Traditional name
1-cyclohexylethenylboronic acid
Synonyms
(1-Cyclohexylvinyl)boronic acid
CAS Number
1202245-69-9
PubChem SID
180676575
PubChem CID
54758878

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD230641 Please log in.
Data Source Data ID
PubChem 54758878 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.7321  LogD (pH = 7.4) 1.7321 
Log P 1.7321  Molar Refractivity 41.2566 cm3
Polarizability 17.718325 Å3 Polar Surface Area 40.46 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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