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169126-64-1 | Boronic acid, B-(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)-
CAS No: 169126-64-1 Catalog No: AG001YHK MDL No:MFCD08436043
Product Description
Catalog Number:
AG001YHK
Chemical Name:
Boronic acid, B-(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)-
CAS Number:
169126-64-1
Molecular Formula:
C15H23BO2
Molecular Weight:
246.1529
MDL Number:
MFCD08436043
IUPAC Name:
(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)boronic acid
InChI:
InChI=1S/C15H23BO2/c1-10-8-11-12(9-13(10)16(17)18)15(4,5)7-6-14(11,2)3/h8-9,17-18H,6-7H2,1-5H3
InChI Key:
CHQAGZBOYKWZNW-UHFFFAOYSA-N
SMILES:
OB(c1cc2c(cc1C)C(C)(C)CCC2(C)C)O
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.179g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
246.157g/mol
Monoisotopic Mass:
246.179g/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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