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63076-51-7

63076-51-7 | Boronic acid, cyclopentyl-

CAS No: 63076-51-7 Catalog No: AG00IB5D MDL No:MFCD01074541

Product Description

Catalog Number:
AG00IB5D
Chemical Name:
Boronic acid, cyclopentyl-
CAS Number:
63076-51-7
Molecular Formula:
C5H11BO2
Molecular Weight:
113.9506
MDL Number:
MFCD01074541
IUPAC Name:
cyclopentylboronic acid
InChI:
InChI=1S/C5H11BO2/c7-6(8)5-3-1-2-4-5/h5,7-8H,1-4H2
InChI Key:
VTTDFSNKIMAQTB-UHFFFAOYSA-N
SMILES:
OB(C1CCCC1)O

Properties

Complexity:
68.8  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
114.085g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
113.951g/mol
Monoisotopic Mass:
114.085g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

Literature

Title Journal
Mechanism and optimisation of the homoboroproline bifunctional catalytic asymmetric aldol reaction: Lewis acid tuning through in situ esterification. Organic & biomolecular chemistry 20120328

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