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Home > Boronic Acids > 1072952-00-1
1072952-00-1 | (3-Formyl-4-isopropoxyphenyl)boronic acid
CAS No: 1072952-00-1 Catalog No: AG003BSF MDL No:MFCD08705272
Product Description
Catalog Number:
AG003BSF
Chemical Name:
(3-Formyl-4-isopropoxyphenyl)boronic acid
CAS Number:
1072952-00-1
Molecular Formula:
C10H13BO4
Molecular Weight:
208.0188
MDL Number:
MFCD08705272
IUPAC Name:
(3-formyl-4-propan-2-yloxyphenyl)boronic acid
InChI:
InChI=1S/C10H13BO4/c1-7(2)15-10-4-3-9(11(13)14)5-8(10)6-12/h3-7,13-14H,1-2H3
InChI Key:
MFWMHBLPARKSLU-UHFFFAOYSA-N
SMILES:
O=Cc1cc(ccc1OC(C)C)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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