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Home > Boronic Acids > 1029438-39-8
1029438-39-8 | 4-(3-Methylphenoxy)phenylboronic acid
CAS No: 1029438-39-8 Catalog No: AG00H9VU MDL No:MFCD28024838
Product Description
Catalog Number:
AG00H9VU
Chemical Name:
4-(3-Methylphenoxy)phenylboronic acid
CAS Number:
1029438-39-8
Molecular Formula:
C13H13BO3
Molecular Weight:
228.0515
MDL Number:
MFCD28024838
IUPAC Name:
[4-(3-methylphenoxy)phenyl]boronic acid
InChI:
InChI=1S/C13H13BO3/c1-10-3-2-4-13(9-10)17-12-7-5-11(6-8-12)14(15)16/h2-9,15-16H,1H3
InChI Key:
BICYMQDGXNOCML-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)Oc1ccc(cc1)B(O)O
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.096g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
228.054g/mol
Monoisotopic Mass:
228.096g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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