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Home > Aldehydes > 128399-19-9
128399-19-9 | Benzaldehyde, 4-(tetrahydro-4H-1,3,6,2-dioxazaborocin-2-yl)-
CAS No: 128399-19-9 Catalog No: AG000Y24 MDL No:
Product Description
Catalog Number:
AG000Y24
Chemical Name:
Benzaldehyde, 4-(tetrahydro-4H-1,3,6,2-dioxazaborocin-2-yl)-
CAS Number:
128399-19-9
Molecular Formula:
C11H14BNO3
Molecular Weight:
219.0448
IUPAC Name:
4-(1,3,6,2-dioxazaborocan-2-yl)benzaldehyde
InChI:
InChI=1S/C11H14BNO3/c14-9-10-1-3-11(4-2-10)12-15-7-5-13-6-8-16-12/h1-4,9,13H,5-8H2
InChI Key:
OEMYEPMHTILVIM-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)B1OCCNCCO1
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.107g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
219.047g/mol
Monoisotopic Mass:
219.107g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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