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Home > Boronic Acids > 832726-03-1
832726-03-1 | 2,1-Benzoxaborole, 3-(1-dodecynyl)-1,3-dihydro-1-hydroxy-7-methyl-
CAS No: 832726-03-1 Catalog No: AG0056JE MDL No:
Product Description
Catalog Number:
AG0056JE
Chemical Name:
2,1-Benzoxaborole, 3-(1-dodecynyl)-1,3-dihydro-1-hydroxy-7-methyl-
CAS Number:
832726-03-1
Molecular Formula:
C20H29BO2
Molecular Weight:
312.2541
IUPAC Name:
3-dodec-1-ynyl-1-hydroxy-7-methyl-3H-2,1-benzoxaborole
InChI:
InChI=1S/C20H29BO2/c1-3-4-5-6-7-8-9-10-11-12-16-19-18-15-13-14-17(2)20(18)21(22)23-19/h13-15,19,22H,3-11H2,1-2H3
InChI Key:
YAOSLOBNRMNCQC-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCC#CC1OB(c2c1cccc2C)O
Properties
Complexity:
397
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.226g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
312.26g/mol
Monoisotopic Mass:
312.226g/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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