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Home > Boronic Acids > 109737-57-7
109737-57-7 | 6-Methyl-2-phenyl-1,3,6,2-dioxazaborocane-4,8-dione
CAS No: 109737-57-7 Catalog No: AG003TPM MDL No:MFCD11215250
Product Description
Catalog Number:
AG003TPM
Chemical Name:
6-Methyl-2-phenyl-1,3,6,2-dioxazaborocane-4,8-dione
CAS Number:
109737-57-7
Molecular Formula:
C11H12BNO4
Molecular Weight:
233.0283
MDL Number:
MFCD11215250
IUPAC Name:
6-methyl-2-phenyl-1,3,6,2-dioxazaborocane-4,8-dione
InChI:
InChI=1S/C11H12BNO4/c1-13-7-10(14)16-12(17-11(15)8-13)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChI Key:
AISHCGVNWMRLOM-UHFFFAOYSA-N
SMILES:
CN1CC(=O)OB(OC(=O)C1)c1ccccc1
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.086g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.03g/mol
Monoisotopic Mass:
233.086g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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