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Home > Boronic Acids > 126617-98-9
126617-98-9 | (2-(Methoxymethyl)phenyl)boronic acid
CAS No: 126617-98-9 Catalog No: AG0074E4 MDL No:MFCD03412110
Product Description
Catalog Number:
AG0074E4
Chemical Name:
(2-(Methoxymethyl)phenyl)boronic acid
CAS Number:
126617-98-9
Molecular Formula:
C8H11BO3
Molecular Weight:
165.9821
MDL Number:
MFCD03412110
IUPAC Name:
[2-(methoxymethyl)phenyl]boronic acid
InChI:
InChI=1S/C8H11BO3/c1-12-6-7-4-2-3-5-8(7)9(10)11/h2-5,10-11H,6H2,1H3
InChI Key:
JHPPAFXQJZJGEP-UHFFFAOYSA-N
SMILES:
COCc1ccccc1B(O)O
Properties
Complexity:
130
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.08g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
165.983g/mol
Monoisotopic Mass:
166.08g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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