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Home > Boronic Acids > 1313758-49-4
1313758-49-4 | 6-methyl-2-(pyridin-2-yl)-1,3,6,2-dioxazaborocane-4,8-dione
CAS No: 1313758-49-4 Catalog No: AG01AFPL MDL No:MFCD16621460
Product Description
Catalog Number:
AG01AFPL
Chemical Name:
6-methyl-2-(pyridin-2-yl)-1,3,6,2-dioxazaborocane-4,8-dione
CAS Number:
1313758-49-4
Molecular Formula:
C10H11BN2O4
Molecular Weight:
234.0163
MDL Number:
MFCD16621460
IUPAC Name:
6-methyl-2-pyridin-2-yl-1,3,6,2-dioxazaborocane-4,8-dione
InChI:
InChI=1S/C10H11BN2O4/c1-13-6-9(14)16-11(17-10(15)7-13)8-4-2-3-5-12-8/h2-5H,6-7H2,1H3
InChI Key:
OEKJACZNFHBYNV-UHFFFAOYSA-N
SMILES:
CN1CC(=O)OB(OC(=O)C1)c1ccccn1
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.081g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.018g/mol
Monoisotopic Mass:
234.081g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
68.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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