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Home > Boronic Acids > 1437051-62-1
1437051-62-1 | 3,3,6-trimethyl-1,3-dihydro-2,1-benzoxaborol-1-ol
CAS No: 1437051-62-1 Catalog No: AG01BFWO MDL No:MFCD27977140
Product Description
Catalog Number:
AG01BFWO
Chemical Name:
3,3,6-trimethyl-1,3-dihydro-2,1-benzoxaborol-1-ol
CAS Number:
1437051-62-1
Molecular Formula:
C10H13BO2
Molecular Weight:
176.0200
MDL Number:
MFCD27977140
IUPAC Name:
1-hydroxy-3,3,6-trimethyl-2,1-benzoxaborole
InChI:
InChI=1S/C10H13BO2/c1-7-4-5-8-9(6-7)11(12)13-10(8,2)3/h4-6,12H,1-3H3
InChI Key:
YHLJNIYISMRAQQ-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)B(O)OC2(C)C
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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