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Home > Boronic Acids > 829666-60-6
829666-60-6 | Boronic acid, [2-(methoxymethoxy)-5-pentylphenyl]-
CAS No: 829666-60-6 Catalog No: AG0053TT MDL No:
Product Description
Catalog Number:
AG0053TT
Chemical Name:
Boronic acid, [2-(methoxymethoxy)-5-pentylphenyl]-
CAS Number:
829666-60-6
Molecular Formula:
C13H21BO4
Molecular Weight:
252.1144
IUPAC Name:
[2-(methoxymethoxy)-5-pentylphenyl]boronic acid
InChI:
InChI=1S/C13H21BO4/c1-3-4-5-6-11-7-8-13(18-10-17-2)12(9-11)14(15)16/h7-9,15-16H,3-6,10H2,1-2H3
InChI Key:
DXGXLRAUACCRLP-UHFFFAOYSA-N
SMILES:
CCCCCc1ccc(c(c1)B(O)O)OCOC
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.153g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
252.117g/mol
Monoisotopic Mass:
252.153g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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