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128376-66-9 | Benzaldehyde, 4-(tetrahydro-6-methyl-4H-1,3,6,2-dioxazaborocin-2-yl)-
CAS No: 128376-66-9 Catalog No: AG000Y1H MDL No:
Product Description
Catalog Number:
AG000Y1H
Chemical Name:
Benzaldehyde, 4-(tetrahydro-6-methyl-4H-1,3,6,2-dioxazaborocin-2-yl)-
CAS Number:
128376-66-9
Molecular Formula:
C12H16BNO3
Molecular Weight:
233.0713
IUPAC Name:
4-(6-methyl-1,3,6,2-dioxazaborocan-2-yl)benzaldehyde
InChI:
InChI=1S/C12H16BNO3/c1-14-6-8-16-13(17-9-7-14)12-4-2-11(10-15)3-5-12/h2-5,10H,6-9H2,1H3
InChI Key:
IUHBAAPYEGHGPT-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)B1OCCN(CCO1)C
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.122g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.074g/mol
Monoisotopic Mass:
233.122g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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