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Home > Boronic Acids > 833472-82-5
833472-82-5 | (3-(3-Methoxy-3-oxopropyl);phenyl);boronic acid
CAS No: 833472-82-5 Catalog No: AG004SEU MDL No:MFCD04115648
Product Description
Catalog Number:
AG004SEU
Chemical Name:
(3-(3-Methoxy-3-oxopropyl);phenyl);boronic acid
CAS Number:
833472-82-5
Molecular Formula:
C10H13BO4
Molecular Weight:
208.0188
MDL Number:
MFCD04115648
IUPAC Name:
[3-(3-methoxy-3-oxopropyl)phenyl]boronic acid
InChI:
InChI=1S/C10H13BO4/c1-15-10(12)6-5-8-3-2-4-9(7-8)11(13)14/h2-4,7,13-14H,5-6H2,1H3
InChI Key:
IPXZIWCEVNDHFD-UHFFFAOYSA-N
SMILES:
COC(=O)CCc1cccc(c1)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:
5
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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