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Home > Boronic Acids > 221352-10-9
221352-10-9 | 3,3-diMethylbenzo[c][1,2]oxaborol-1(3H)-ol
CAS No: 221352-10-9 Catalog No: AG00BFBH MDL No:MFCD13180474
Product Description
Catalog Number:
AG00BFBH
Chemical Name:
3,3-diMethylbenzo[c][1,2]oxaborol-1(3H)-ol
CAS Number:
221352-10-9
Molecular Formula:
C9H11BO2
Molecular Weight:
161.9934
MDL Number:
MFCD13180474
IUPAC Name:
1-hydroxy-3,3-dimethyl-2,1-benzoxaborole
InChI:
InChI=1S/C9H11BO2/c1-9(2)7-5-3-4-6-8(7)10(11)12-9/h3-6,11H,1-2H3
InChI Key:
XPHBVPSNNPMQPE-UHFFFAOYSA-N
SMILES:
OB1OC(c2c1cccc2)(C)C
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.085g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
161.995g/mol
Monoisotopic Mass:
162.085g/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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