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Home > Boronic Acids > 850568-44-4
850568-44-4 | (4-(3-Methoxy-3-oxopropyl);phenyl);boronic acid
CAS No: 850568-44-4 Catalog No: AG004SI0 MDL No:MFCD04115640
Product Description
Catalog Number:
AG004SI0
Chemical Name:
(4-(3-Methoxy-3-oxopropyl);phenyl);boronic acid
CAS Number:
850568-44-4
Molecular Formula:
C10H13BO4
Molecular Weight:
208.0188
MDL Number:
MFCD04115640
IUPAC Name:
[4-(3-methoxy-3-oxopropyl)phenyl]boronic acid
InChI:
InChI=1S/C10H13BO4/c1-15-10(12)7-4-8-2-5-9(6-3-8)11(13)14/h2-3,5-6,13-14H,4,7H2,1H3
InChI Key:
XRKIHUXCUIFHAS-UHFFFAOYSA-N
SMILES:
COC(=O)CCc1ccc(cc1)B(O)O
Properties
Complexity:
200
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:
5
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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