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Home > Boronic Acids > 480424-52-0
480424-52-0 | (3-Formyl-2-isopropoxy-5-methylphenyl)boronic acid
CAS No: 480424-52-0 Catalog No: AG003BSE MDL No:MFCD08276748
Product Description
Catalog Number:
AG003BSE
Chemical Name:
(3-Formyl-2-isopropoxy-5-methylphenyl)boronic acid
CAS Number:
480424-52-0
Molecular Formula:
C11H15BO4
Molecular Weight:
222.0454
MDL Number:
MFCD08276748
IUPAC Name:
(3-formyl-5-methyl-2-propan-2-yloxyphenyl)boronic acid
InChI:
InChI=1S/C11H15BO4/c1-7(2)16-11-9(6-13)4-8(3)5-10(11)12(14)15/h4-7,14-15H,1-3H3
InChI Key:
GJCSGBGUVKZHMG-UHFFFAOYSA-N
SMILES:
O=Cc1cc(C)cc(c1OC(C)C)B(O)O
Properties
Complexity:
232
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:
4
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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