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Home > Boronic Acids > 4441-56-9
4441-56-9 | Cyclohexylboronic acid
CAS No: 4441-56-9 Catalog No: AG003P5G MDL No:MFCD01311824
Product Description
Catalog Number:
AG003P5G
Chemical Name:
Cyclohexylboronic acid
CAS Number:
4441-56-9
Molecular Formula:
C6H13BO2
Molecular Weight:
127.9772
MDL Number:
MFCD01311824
IUPAC Name:
cyclohexylboronic acid
InChI:
InChI=1S/C6H13BO2/c8-7(9)6-4-2-1-3-5-6/h6,8-9H,1-5H2
InChI Key:
XDRVAZAFNWDVOE-UHFFFAOYSA-N
SMILES:
OB(C1CCCCC1)O
Properties
Complexity:
79.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
128.101g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
127.978g/mol
Monoisotopic Mass:
128.101g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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