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Home > Boronic Acids > 1003042-92-9
1003042-92-9 | Boronic acid, B-(2-ethoxy-5-formylphenyl)-
CAS No: 1003042-92-9 Catalog No: AG0001JN MDL No:MFCD09752822
Product Description
Catalog Number:
AG0001JN
Chemical Name:
Boronic acid, B-(2-ethoxy-5-formylphenyl)-
CAS Number:
1003042-92-9
Molecular Formula:
C9H11BO4
Molecular Weight:
193.9922
MDL Number:
MFCD09752822
IUPAC Name:
(2-ethoxy-5-formylphenyl)boronic acid
InChI:
InChI=1S/C9H11BO4/c1-2-14-9-4-3-7(6-11)5-8(9)10(12)13/h3-6,12-13H,2H2,1H3
InChI Key:
AKDKQQWBMKEDLW-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1B(O)O)C=O
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.075g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
193.993g/mol
Monoisotopic Mass:
194.075g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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