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Home > Boronic Acids > 459423-32-6
459423-32-6 | 3-(1-ADAMANTYL)-4-METHOXYBENZENEBORONIC ACID
CAS No: 459423-32-6 Catalog No: AG00DAC2 MDL No:MFCD08056355
Product Description
Catalog Number:
AG00DAC2
Chemical Name:
3-(1-ADAMANTYL)-4-METHOXYBENZENEBORONIC ACID
CAS Number:
459423-32-6
Molecular Formula:
C17H23BO3
Molecular Weight:
286.1737
MDL Number:
MFCD08056355
IUPAC Name:
[3-(1-adamantyl)-4-methoxyphenyl]boronic acid
InChI:
InChI=1S/C17H23BO3/c1-21-16-3-2-14(18(19)20)7-15(16)17-8-11-4-12(9-17)6-13(5-11)10-17/h2-3,7,11-13,19-20H,4-6,8-10H2,1H3
InChI Key:
FPZOBRFHRPQGAA-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1C12CC3CC(C2)CC(C1)C3)B(O)O
Properties
Complexity:
356
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.174g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
286.178g/mol
Monoisotopic Mass:
286.174g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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