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Home > Boronic Acids > 94838-88-7
94838-88-7 | (6-Formylbenzo[d][1,3]dioxol-5-yl)boronic acid
CAS No: 94838-88-7 Catalog No: AG003BYZ MDL No:MFCD01319005
Product Description
Catalog Number:
AG003BYZ
Chemical Name:
(6-Formylbenzo[d][1,3]dioxol-5-yl)boronic acid
CAS Number:
94838-88-7
Molecular Formula:
C8H7BO5
Molecular Weight:
193.9492
MDL Number:
MFCD01319005
IUPAC Name:
(6-formyl-1,3-benzodioxol-5-yl)boronic acid
InChI:
InChI=1S/C8H7BO5/c10-3-5-1-7-8(14-4-13-7)2-6(5)9(11)12/h1-3,11-12H,4H2
InChI Key:
AKEPUIJBVDGLMX-UHFFFAOYSA-N
SMILES:
O=Cc1cc2OCOc2cc1B(O)O
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.039g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
193.949g/mol
Monoisotopic Mass:
194.039g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
76A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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