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Home > Boronic Acids > 1393477-33-2
1393477-33-2 | 2,1-Benzoxaborole, 1,3-dihydro-1-hydroxy-3,3,5-trimethyl-
CAS No: 1393477-33-2 Catalog No: AG001ASP MDL No:MFCD27977143
Product Description
Catalog Number:
AG001ASP
Chemical Name:
2,1-Benzoxaborole, 1,3-dihydro-1-hydroxy-3,3,5-trimethyl-
CAS Number:
1393477-33-2
Molecular Formula:
C10H13BO2
Molecular Weight:
176.0200
MDL Number:
MFCD27977143
IUPAC Name:
1-hydroxy-3,3,5-trimethyl-2,1-benzoxaborole
InChI:
InChI=1S/C10H13BO2/c1-7-4-5-9-8(6-7)10(2,3)13-11(9)12/h4-6,12H,1-3H3
InChI Key:
YHNSWCARTYRRBQ-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)C(C)(C)OB2O
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.101g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
176.022g/mol
Monoisotopic Mass:
176.101g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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