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Home > Aldehydes > 128376-65-8
128376-65-8 | Benzaldehyde, 4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-
CAS No: 128376-65-8 Catalog No: AG000Y1I MDL No:MFCD06796332
Product Description
Catalog Number:
AG000Y1I
Chemical Name:
Benzaldehyde, 4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-
CAS Number:
128376-65-8
Molecular Formula:
C12H15BO3
Molecular Weight:
218.0567
MDL Number:
MFCD06796332
IUPAC Name:
4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzaldehyde
InChI:
InChI=1S/C12H15BO3/c1-12(2)8-15-13(16-9-12)11-5-3-10(7-14)4-6-11/h3-7H,8-9H2,1-2H3
InChI Key:
JUHDMCQVJGHKFW-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)B1OCC(CO1)(C)C
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.111g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.059g/mol
Monoisotopic Mass:
218.111g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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