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Home > Boronic Acids > 361456-68-0
361456-68-0 | Benzo[d][1,3]dioxol-4-ylboronic acid
CAS No: 361456-68-0 Catalog No: AG003O1S MDL No:MFCD03095113
Product Description
Catalog Number:
AG003O1S
Chemical Name:
Benzo[d][1,3]dioxol-4-ylboronic acid
CAS Number:
361456-68-0
Molecular Formula:
C7H7BO4
Molecular Weight:
165.9391
MDL Number:
MFCD03095113
IUPAC Name:
1,3-benzodioxol-4-ylboronic acid
InChI:
InChI=1S/C7H7BO4/c9-8(10)5-2-1-3-6-7(5)12-4-11-6/h1-3,9-10H,4H2
InChI Key:
BEIKNVAUEWMMAZ-UHFFFAOYSA-N
SMILES:
OB(c1cccc2c1OCO2)O
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.044g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
165.939g/mol
Monoisotopic Mass:
166.044g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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