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Home > Boronic Acids > 94839-07-3
94839-07-3 | 3,4-Methylenedioxyphenylboronic Acid
CAS No: 94839-07-3 Catalog No: AG0036VA MDL No:MFCD01009695
Product Description
Catalog Number:
AG0036VA
Chemical Name:
3,4-Methylenedioxyphenylboronic Acid
CAS Number:
94839-07-3
Molecular Formula:
C7H7BO4
Molecular Weight:
165.9391
MDL Number:
MFCD01009695
IUPAC Name:
1,3-benzodioxol-5-ylboronic acid
InChI:
InChI=1S/C7H7BO4/c9-8(10)5-1-2-6-7(3-5)12-4-11-6/h1-3,9-10H,4H2
InChI Key:
CMHPUBKZZPSUIQ-UHFFFAOYSA-N
SMILES:
OB(c1ccc2c(c1)OCO2)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
Literature
| Title | Journal |
|---|---|
| Metal-free carbon-carbon bond-forming reductive coupling between boronic acids and tosylhydrazones. | Nature chemistry 20090901 |
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