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89291-22-5 | Boronic acid, [8-[(dimethylamino)methyl]-1-naphthalenyl]-
CAS No: 89291-22-5 Catalog No: AG00406D MDL No:
Product Description
Catalog Number:
AG00406D
Chemical Name:
Boronic acid, [8-[(dimethylamino)methyl]-1-naphthalenyl]-
CAS Number:
89291-22-5
Molecular Formula:
C13H16BNO2
Molecular Weight:
229.0826
IUPAC Name:
[8-[(dimethylamino)methyl]naphthalen-1-yl]boronic acid
InChI:
InChI=1S/C13H16BNO2/c1-15(2)9-11-7-3-5-10-6-4-8-12(13(10)11)14(16)17/h3-8,16-17H,9H2,1-2H3
InChI Key:
GLKKEJJDBQGLFX-UHFFFAOYSA-N
SMILES:
CN(Cc1cccc2c1c(ccc2)B(O)O)C
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.127g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
229.086g/mol
Monoisotopic Mass:
229.127g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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