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Home > Boronic Acids > 815619-87-5
815619-87-5 | (4-Butoxy-3-formylphenyl)boronic acid
CAS No: 815619-87-5 Catalog No: AG005JTW MDL No:MFCD21609539
Product Description
Catalog Number:
AG005JTW
Chemical Name:
(4-Butoxy-3-formylphenyl)boronic acid
CAS Number:
815619-87-5
Molecular Formula:
C11H15BO4
Molecular Weight:
222.0454
MDL Number:
MFCD21609539
IUPAC Name:
(4-butoxy-3-formylphenyl)boronic acid
InChI:
InChI=1S/C11H15BO4/c1-2-3-6-16-11-5-4-10(12(14)15)7-9(11)8-13/h4-5,7-8,14-15H,2-3,6H2,1H3
InChI Key:
CXMOGUFQKZWEGE-UHFFFAOYSA-N
SMILES:
CCCCOc1ccc(cc1C=O)B(O)O
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.106g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
222.047g/mol
Monoisotopic Mass:
222.106g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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