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Home > Boronic Acids > 1072951-70-2
1072951-70-2 | (3-Butoxy-5-formylphenyl);boronic acid
CAS No: 1072951-70-2 Catalog No: AG003BRN MDL No:MFCD07784397
Product Description
Catalog Number:
AG003BRN
Chemical Name:
(3-Butoxy-5-formylphenyl);boronic acid
CAS Number:
1072951-70-2
Molecular Formula:
C11H15BO4
Molecular Weight:
222.0454
MDL Number:
MFCD07784397
IUPAC Name:
(3-butoxy-5-formylphenyl)boronic acid
InChI:
InChI=1S/C11H15BO4/c1-2-3-4-16-11-6-9(8-13)5-10(7-11)12(14)15/h5-8,14-15H,2-4H2,1H3
InChI Key:
OXIDCSRUHBZBQG-UHFFFAOYSA-N
SMILES:
CCCCOc1cc(C=O)cc(c1)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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