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Home > Boronic Acids > 1117776-68-7
1117776-68-7 | 4-Allyloxyphenylboronic acid
CAS No: 1117776-68-7 Catalog No: AG0081SR MDL No:MFCD11103728
Product Description
Catalog Number:
AG0081SR
Chemical Name:
4-Allyloxyphenylboronic acid
CAS Number:
1117776-68-7
Molecular Formula:
C9H11BO3
Molecular Weight:
177.9928
MDL Number:
MFCD11103728
IUPAC Name:
(4-prop-2-enoxyphenyl)boronic acid
InChI:
InChI=1S/C9H11BO3/c1-2-7-13-9-5-3-8(4-6-9)10(11)12/h2-6,11-12H,1,7H2
InChI Key:
HOFUGGFJBSCHEW-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)OCC=C)O
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.08g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
177.994g/mol
Monoisotopic Mass:
178.08g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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