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Home > Boronic Acids > 1218789-54-8
1218789-54-8 | Benzoic acid, 3-ethoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, methyl ester
CAS No: 1218789-54-8 Catalog No: AG00167E MDL No:MFCD12546593
Product Description
Catalog Number:
AG00167E
Chemical Name:
Benzoic acid, 3-ethoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, methyl ester
CAS Number:
1218789-54-8
Molecular Formula:
C16H23BO5
Molecular Weight:
306.1618
MDL Number:
MFCD12546593
IUPAC Name:
methyl 3-ethoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
InChI:
InChI=1S/C16H23BO5/c1-7-20-13-9-11(14(18)19-6)8-12(10-13)17-21-15(2,3)16(4,5)22-17/h8-10H,7H2,1-6H3
InChI Key:
YCYXPSGJPZOSTO-UHFFFAOYSA-N
SMILES:
CCOc1cc(cc(c1)C(=O)OC)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
393
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.164g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
306.165g/mol
Monoisotopic Mass:
306.164g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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