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Home > Boronic Acids > 871125-79-0
871125-79-0 | (3-Formyl-5-isopropoxyphenyl)boronic acid
CAS No: 871125-79-0 Catalog No: AG003BSG MDL No:MFCD07784396
Product Description
Catalog Number:
AG003BSG
Chemical Name:
(3-Formyl-5-isopropoxyphenyl)boronic acid
CAS Number:
871125-79-0
Molecular Formula:
C10H13BO4
Molecular Weight:
208.0188
MDL Number:
MFCD07784396
IUPAC Name:
(3-formyl-5-propan-2-yloxyphenyl)boronic acid
InChI:
InChI=1S/C10H13BO4/c1-7(2)15-10-4-8(6-12)3-9(5-10)11(13)14/h3-7,13-14H,1-2H3
InChI Key:
TYKYVLDAFDKFHV-UHFFFAOYSA-N
SMILES:
O=Cc1cc(OC(C)C)cc(c1)B(O)O
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.091g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
208.02g/mol
Monoisotopic Mass:
208.091g/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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