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Home > Boronic Acids > 1137339-94-6
1137339-94-6 | Boronic acid, B-[5-(hydroxymethyl)-2-methoxyphenyl]-
CAS No: 1137339-94-6 Catalog No: AG0009HI MDL No:MFCD13181643
Product Description
Catalog Number:
AG0009HI
Chemical Name:
Boronic acid, B-[5-(hydroxymethyl)-2-methoxyphenyl]-
CAS Number:
1137339-94-6
Molecular Formula:
C8H11BO4
Molecular Weight:
181.9815
MDL Number:
MFCD13181643
IUPAC Name:
[5-(hydroxymethyl)-2-methoxyphenyl]boronic acid
InChI:
InChI=1S/C8H11BO4/c1-13-8-3-2-6(5-10)4-7(8)9(11)12/h2-4,10-12H,5H2,1H3
InChI Key:
VVAGQXBGJZANAF-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1B(O)O)CO
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.075g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
181.982g/mol
Monoisotopic Mass:
182.075g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
69.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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