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Home > Boronic Acids > 1335234-29-1
1335234-29-1 | [3-methyl-4-(oxolan-3-yloxy)phenyl]boronic acid
CAS No: 1335234-29-1 Catalog No: AG01DV9L MDL No:MFCD18365930
Product Description
Catalog Number:
AG01DV9L
Chemical Name:
[3-methyl-4-(oxolan-3-yloxy)phenyl]boronic acid
CAS Number:
1335234-29-1
Molecular Formula:
C11H15BO4
Molecular Weight:
222.0454
MDL Number:
MFCD18365930
IUPAC Name:
[3-methyl-4-(oxolan-3-yloxy)phenyl]boronic acid
InChI:
InChI=1S/C11H15BO4/c1-8-6-9(12(13)14)2-3-11(8)16-10-4-5-15-7-10/h2-3,6,10,13-14H,4-5,7H2,1H3
InChI Key:
AHQYPSCKYUMCSC-UHFFFAOYSA-N
SMILES:
Cc1cc(ccc1OC1COCC1)B(O)O
Properties
Complexity:
224
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:
3
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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