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Home > Boronic Acids > 1256346-05-0
1256346-05-0 | Boronic acid, B-(3-ethoxy-5-methylphenyl)-
CAS No: 1256346-05-0 Catalog No: AG000O1O MDL No:MFCD16295066
Product Description
Catalog Number:
AG000O1O
Chemical Name:
Boronic acid, B-(3-ethoxy-5-methylphenyl)-
CAS Number:
1256346-05-0
Molecular Formula:
C9H13BO3
Molecular Weight:
180.0087
MDL Number:
MFCD16295066
IUPAC Name:
(3-ethoxy-5-methylphenyl)boronic acid
InChI:
InChI=1S/C9H13BO3/c1-3-13-9-5-7(2)4-8(6-9)10(11)12/h4-6,11-12H,3H2,1-2H3
InChI Key:
DYSSQITZDLDPSX-UHFFFAOYSA-N
SMILES:
CCOc1cc(cc(c1)C)B(O)O
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:
0
Undefined Bond Stereocenter Count:
0
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