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Home > Boronic Acids > 832725-68-5
832725-68-5 | 2,1-Benzoxaborole, 3-(1-dodecynyl)-1,3-dihydro-1-hydroxy-
CAS No: 832725-68-5 Catalog No: AG004XWP MDL No:
Product Description
Catalog Number:
AG004XWP
Chemical Name:
2,1-Benzoxaborole, 3-(1-dodecynyl)-1,3-dihydro-1-hydroxy-
CAS Number:
832725-68-5
Molecular Formula:
C19H27BO2
Molecular Weight:
298.2275
IUPAC Name:
3-dodec-1-ynyl-1-hydroxy-3H-2,1-benzoxaborole
InChI:
InChI=1S/C19H27BO2/c1-2-3-4-5-6-7-8-9-10-11-16-19-17-14-12-13-15-18(17)20(21)22-19/h12-15,19,21H,2-10H2,1H3
InChI Key:
PKJQVKQJWKGFSG-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCC#CC1OB(c2c1cccc2)O
Properties
Complexity:
370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.21g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
298.233g/mol
Monoisotopic Mass:
298.21g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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