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Home > Boronic Acids > 1227700-45-9
1227700-45-9 | Boron, [N-[(carboxy-κO)methyl]-N-methylglycinato(2-)-κN,κO](6-methoxy-2-pyridinyl)-, (T-4)-
CAS No: 1227700-45-9 Catalog No: AG000JFW MDL No:MFCD16621487
Product Description
Catalog Number:
AG000JFW
Chemical Name:
Boron, [N-[(carboxy-κO)methyl]-N-methylglycinato(2-)-κN,κO](6-methoxy-2-pyridinyl)-, (T-4)-
CAS Number:
1227700-45-9
Molecular Formula:
C11H13BN2O5
Molecular Weight:
264.0423
MDL Number:
MFCD16621487
IUPAC Name:
2-(6-methoxypyridin-2-yl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione
InChI:
InChI=1S/C11H13BN2O5/c1-14-6-10(15)18-12(19-11(16)7-14)8-4-3-5-9(13-8)17-2/h3-5H,6-7H2,1-2H3
InChI Key:
WBXOGDARCSEVBF-UHFFFAOYSA-N
SMILES:
COc1cccc(n1)B1OC(=O)CN(CC(=O)O1)C
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.092g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.044g/mol
Monoisotopic Mass:
264.092g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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