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2,4,6-TRIMETHYLBENZENEBORONIC ACID NEOPENTYL GLYCOL CYCLIC ESTER

CAS No.:
214360-78-8
Catalog Number:
AG003FNO
Molecular Formula:
C14H21BO2
Molecular Weight:
232.1263
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Product Description
Catalog Number:
AG003FNO
Chemical Name:
2,4,6-TRIMETHYLBENZENEBORONIC ACID NEOPENTYL GLYCOL CYCLIC ESTER
CAS Number:
214360-78-8
Molecular Formula:
C14H21BO2
Molecular Weight:
232.1263
MDL Number:
MFCD01318178
IUPAC Name:
5,5-dimethyl-2-(2,4,6-trimethylphenyl)-1,3,2-dioxaborinane
InChI:
InChI=1S/C14H21BO2/c1-10-6-11(2)13(12(3)7-10)15-16-8-14(4,5)9-17-15/h6-7H,8-9H2,1-5H3
InChI Key:
ITLDRNGUSKUMRG-UHFFFAOYSA-N
SMILES:
Cc1cc(C)c(c(c1)C)B1OCC(CO1)(C)C
Properties
Complexity:
245  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.163g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.13g/mol
Monoisotopic Mass:
232.163g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties