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Home > Boronic Acids > 608534-31-2
608534-31-2 | 2-(4-Methylstyryl)-1,3,6,2-dioxazaborocane
CAS No: 608534-31-2 Catalog No: AG003LRN MDL No:
Product Description
Catalog Number:
AG003LRN
Chemical Name:
2-(4-Methylstyryl)-1,3,6,2-dioxazaborocane
CAS Number:
608534-31-2
Molecular Formula:
C13H18BNO2
Molecular Weight:
231.0985
IUPAC Name:
2-[(E)-2-(4-methylphenyl)ethenyl]-1,3,6,2-dioxazaborocane
InChI:
InChI=1S/C13H18BNO2/c1-12-2-4-13(5-3-12)6-7-14-16-10-8-15-9-11-17-14/h2-7,15H,8-11H2,1H3/b7-6+
InChI Key:
CPKXHEJAUDGMRT-VOTSOKGWSA-N
SMILES:
Cc1ccc(cc1)/C=C/B1OCCNCCO1
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
231.143g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
231.102g/mol
Monoisotopic Mass:
231.143g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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