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Home > Boronic Acids > 1003042-89-4
1003042-89-4 | Boronic acid, B-(5-ethoxy-2-formylphenyl)-
CAS No: 1003042-89-4 Catalog No: AG0001JO MDL No:MFCD22421490
Product Description
Catalog Number:
AG0001JO
Chemical Name:
Boronic acid, B-(5-ethoxy-2-formylphenyl)-
CAS Number:
1003042-89-4
Molecular Formula:
C9H11BO4
Molecular Weight:
193.9922
MDL Number:
MFCD22421490
IUPAC Name:
(5-ethoxy-2-formylphenyl)boronic acid
InChI:
InChI=1S/C9H11BO4/c1-2-14-8-4-3-7(6-11)9(5-8)10(12)13/h3-6,12-13H,2H2,1H3
InChI Key:
WZXOCGHYGPWDRF-UHFFFAOYSA-N
SMILES:
CCOc1ccc(c(c1)B(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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