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Home > Boronic Acids > 159613-21-5
159613-21-5 | Boronic acid, B-[3-(cyclopentyloxy)-4-methoxyphenyl]-
CAS No: 159613-21-5 Catalog No: AG001R8J MDL No:MFCD04039013
Product Description
Catalog Number:
AG001R8J
Chemical Name:
Boronic acid, B-[3-(cyclopentyloxy)-4-methoxyphenyl]-
CAS Number:
159613-21-5
Molecular Formula:
C12H17BO4
Molecular Weight:
236.0720
MDL Number:
MFCD04039013
IUPAC Name:
(3-cyclopentyloxy-4-methoxyphenyl)boronic acid
InChI:
InChI=1S/C12H17BO4/c1-16-11-7-6-9(13(14)15)8-12(11)17-10-4-2-3-5-10/h6-8,10,14-15H,2-5H2,1H3
InChI Key:
PTXMXVNPZGJCAA-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1OC1CCCC1)B(O)O
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.122g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
236.074g/mol
Monoisotopic Mass:
236.122g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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