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832726-10-0 | 2,1-Benzoxaborole, 3-(1-dodecynyl)-1,3-dihydro-1-hydroxy-6-methyl-
CAS No: 832726-10-0 Catalog No: AG008IL8 MDL No:
Product Description
Catalog Number:
AG008IL8
Chemical Name:
2,1-Benzoxaborole, 3-(1-dodecynyl)-1,3-dihydro-1-hydroxy-6-methyl-
CAS Number:
832726-10-0
Molecular Formula:
C20H29BO2
Molecular Weight:
312.2541
IUPAC Name:
3-dodec-1-ynyl-1-hydroxy-6-methyl-3H-2,1-benzoxaborole
InChI:
InChI=1S/C20H29BO2/c1-3-4-5-6-7-8-9-10-11-12-13-20-18-15-14-17(2)16-19(18)21(22)23-20/h14-16,20,22H,3-11H2,1-2H3
InChI Key:
YNWPXQYGHMPOKH-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCC#CC1OB(c2c1ccc(c2)C)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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