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Home > Boronic Acids > 1257739-11-9
1257739-11-9 | 2-(4-methoxyphenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione
CAS No: 1257739-11-9 Catalog No: AG00HIH3 MDL No:MFCD11215235
Product Description
Catalog Number:
AG00HIH3
Chemical Name:
2-(4-methoxyphenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione
CAS Number:
1257739-11-9
Molecular Formula:
C12H14BNO5
Molecular Weight:
263.0543
MDL Number:
MFCD11215235
IUPAC Name:
2-(4-methoxyphenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione
InChI:
InChI=1S/C12H14BNO5/c1-14-7-11(15)18-13(19-12(16)8-14)9-3-5-10(17-2)6-4-9/h3-6H,7-8H2,1-2H3
InChI Key:
UMYGAOMZGXRKKP-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)B1OC(=O)CN(CC(=O)O1)C
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.097g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.056g/mol
Monoisotopic Mass:
263.097g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
65.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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