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499769-89-0 | 2,3-DIHYDRO-BENZO[B][1,4]DIOXINE-2-YLBORONIC ACID
CAS No: 499769-89-0 Catalog No: AG006X37 MDL No:
Product Description
Catalog Number:
AG006X37
Chemical Name:
2,3-DIHYDRO-BENZO[B][1,4]DIOXINE-2-YLBORONIC ACID
CAS Number:
499769-89-0
Molecular Formula:
C8H9BO4
Molecular Weight:
179.9657
IUPAC Name:
2,3-dihydro-1,4-benzodioxin-3-ylboronic acid
InChI:
InChI=1S/C8H9BO4/c10-9(11)8-5-12-6-3-1-2-4-7(6)13-8/h1-4,8,10-11H,5H2
InChI Key:
CIJKIBWOJUNPGY-UHFFFAOYSA-N
SMILES:
OB(C1COc2c(O1)cccc2)O
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.059g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
179.966g/mol
Monoisotopic Mass:
180.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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