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591249-50-2 | Boronic acid, [4-(ethoxymethyl)-2,6-dimethoxyphenyl]-
CAS No: 591249-50-2 Catalog No: AG00IAIO MDL No:
Product Description
Catalog Number:
AG00IAIO
Chemical Name:
Boronic acid, [4-(ethoxymethyl)-2,6-dimethoxyphenyl]-
CAS Number:
591249-50-2
Molecular Formula:
C11H17BO5
Molecular Weight:
240.0607
IUPAC Name:
[4-(ethoxymethyl)-2,6-dimethoxyphenyl]boronic acid
InChI:
InChI=1S/C11H17BO5/c1-4-17-7-8-5-9(15-2)11(12(13)14)10(6-8)16-3/h5-6,13-14H,4,7H2,1-3H3
InChI Key:
BCMKFWFNEMRLOO-UHFFFAOYSA-N
SMILES:
CCOCc1cc(OC)c(c(c1)OC)B(O)O
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.117g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
240.062g/mol
Monoisotopic Mass:
240.117g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
68.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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