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Home > Boronic Acids > 1150114-41-2
1150114-41-2 | 4H-1,3,6,2-Dioxazaborocine, tetrahydro-6-methyl-2-(1-phenylethenyl)-
CAS No: 1150114-41-2 Catalog No: AG000FLM MDL No:MFCD11855839
Product Description
Catalog Number:
AG000FLM
Chemical Name:
4H-1,3,6,2-Dioxazaborocine, tetrahydro-6-methyl-2-(1-phenylethenyl)-
CAS Number:
1150114-41-2
Molecular Formula:
C13H18BNO2
Molecular Weight:
231.0985
MDL Number:
MFCD11855839
IUPAC Name:
6-methyl-2-(1-phenylethenyl)-1,3,6,2-dioxazaborocane
InChI:
InChI=1S/C13H18BNO2/c1-12(13-6-4-3-5-7-13)14-16-10-8-15(2)9-11-17-14/h3-7H,1,8-11H2,2H3
InChI Key:
QWPFMUGPSYWPFD-UHFFFAOYSA-N
SMILES:
CN1CCOB(OCC1)C(=C)c1ccccc1
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.143g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.102g/mol
Monoisotopic Mass:
231.143g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
21.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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