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1400755-04-5 | Benzenemethanol, 4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS No: 1400755-04-5 Catalog No: AG001C03 MDL No:MFCD18729963
Product Description
Catalog Number:
AG001C03
Chemical Name:
Benzenemethanol, 4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS Number:
1400755-04-5
Molecular Formula:
C14H21BO3
Molecular Weight:
248.1257
MDL Number:
MFCD18729963
IUPAC Name:
[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanol
InChI:
InChI=1S/C14H21BO3/c1-10-6-7-11(9-16)8-12(10)15-17-13(2,3)14(4,5)18-15/h6-8,16H,9H2,1-5H3
InChI Key:
VJQANZAODCQHCN-UHFFFAOYSA-N
SMILES:
OCc1ccc(c(c1)B1OC(C(O1)(C)C)(C)C)C
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.158g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
248.129g/mol
Monoisotopic Mass:
248.158g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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