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Home > Boronic Acids > 94839-09-5
94839-09-5 | Boronic acid, 1,3-benzodioxol-5-yl-, dibutyl ester
CAS No: 94839-09-5 Catalog No: AG0067IQ MDL No:
Product Description
Catalog Number:
AG0067IQ
Chemical Name:
Boronic acid, 1,3-benzodioxol-5-yl-, dibutyl ester
CAS Number:
94839-09-5
Molecular Formula:
C15H23BO4
Molecular Weight:
278.1517
IUPAC Name:
1,3-benzodioxol-5-yl(dibutoxy)borane
InChI:
InChI=1S/C15H23BO4/c1-3-5-9-19-16(20-10-6-4-2)13-7-8-14-15(11-13)18-12-17-14/h7-8,11H,3-6,9-10,12H2,1-2H3
InChI Key:
OMDJWCJEXVQLDV-UHFFFAOYSA-N
SMILES:
CCCCOB(c1ccc2c(c1)OCO2)OCCCC
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.169g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.155g/mol
Monoisotopic Mass:
278.169g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
36.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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