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37490-33-8 molecular structure
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(2-cyclohexylethenyl)boronic acid

ChemBase ID: 795751
Molecular Formular: C8H15BO2
Molecular Mass: 154.0145
Monoisotopic Mass: 154.11651012
SMILES and InChIs

SMILES:
B(O)(O)C=CC1CCCCC1
Canonical SMILES:
OB(C=CC1CCCCC1)O
InChI:
InChI=1S/C8H15BO2/c10-9(11)7-6-8-4-2-1-3-5-8/h6-8,10-11H,1-5H2
InChIKey:
FBRJOMMIILHLCG-UHFFFAOYSA-N

Cite this record

CBID:795751 http://www.chembase.cn/molecule-795751.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2-cyclohexylethenyl)boronic acid
IUPAC Traditional name
2-cyclohexylethenylboronic acid
Synonyms
(2-Cyclohexylvinyl)boronic acid
CAS Number
37490-33-8

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O406 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O406 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.872374  H Acceptors
H Donor LogD (pH = 5.5) 2.3215816 
LogD (pH = 7.4) 2.3201468  Log P 2.3216 
Molar Refractivity 41.4354 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
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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