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Home > Boronic Acids > 872979-73-2
872979-73-2 | Boronic acid, [2-(1-methoxyethyl)phenyl]-
CAS No: 872979-73-2 Catalog No: AG008EE4 MDL No:
Product Description
Catalog Number:
AG008EE4
Chemical Name:
Boronic acid, [2-(1-methoxyethyl)phenyl]-
CAS Number:
872979-73-2
Molecular Formula:
C9H13BO3
Molecular Weight:
180.0087
IUPAC Name:
[2-(1-methoxyethyl)phenyl]boronic acid
InChI:
InChI=1S/C9H13BO3/c1-7(13-2)8-5-3-4-6-9(8)10(11)12/h3-7,11-12H,1-2H3
InChI Key:
FQRNBDHINRHZRU-UHFFFAOYSA-N
SMILES:
COC(c1ccccc1B(O)O)C
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.096g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
180.01g/mol
Monoisotopic Mass:
180.096g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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