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Home > Boronic Acids > 1256355-64-2
1256355-64-2 | Boronic acid, B-[4-(1-methylethoxy)phenyl]-, hydrate (1:1)
CAS No: 1256355-64-2 Catalog No: AG000O59 MDL No:MFCD07781114
Product Description
Catalog Number:
AG000O59
Chemical Name:
Boronic acid, B-[4-(1-methylethoxy)phenyl]-, hydrate (1:1)
CAS Number:
1256355-64-2
Molecular Formula:
C9H15BO4
Molecular Weight:
198.0240
MDL Number:
MFCD07781114
IUPAC Name:
(4-propan-2-yloxyphenyl)boronic acid;hydrate
InChI:
InChI=1S/C9H13BO3.H2O/c1-7(2)13-9-5-3-8(4-6-9)10(11)12;/h3-7,11-12H,1-2H3;1H2
InChI Key:
ONOFEMDDNLFOFD-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)OC(C)C)O.O
Properties
Complexity:
142
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.106g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
198.025g/mol
Monoisotopic Mass:
198.106g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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