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Home > Boronic Acids > 1313614-61-7
1313614-61-7 | 6-methyl-2-(3-methylphenyl)-1,3,6,2-dioxazaborocane-4,8-dione
CAS No: 1313614-61-7 Catalog No: AG00HSFR MDL No:MFCD18252673
Product Description
Catalog Number:
AG00HSFR
Chemical Name:
6-methyl-2-(3-methylphenyl)-1,3,6,2-dioxazaborocane-4,8-dione
CAS Number:
1313614-61-7
Molecular Formula:
C12H14BNO4
Molecular Weight:
247.0549
MDL Number:
MFCD18252673
IUPAC Name:
6-methyl-2-(3-methylphenyl)-1,3,6,2-dioxazaborocane-4,8-dione
InChI:
InChI=1S/C12H14BNO4/c1-9-4-3-5-10(6-9)13-17-11(15)7-14(2)8-12(16)18-13/h3-6H,7-8H2,1-2H3
InChI Key:
SHGWEHYNVYHMLA-UHFFFAOYSA-N
SMILES:
CN1CC(=O)OB(OC(=O)C1)c1cccc(c1)C
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.102g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.057g/mol
Monoisotopic Mass:
247.102g/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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