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Home > Boronic Acids > 1256345-76-2
1256345-76-2 | Boronic acid, B-[3-methyl-5-(1-methylethoxy)phenyl]-
CAS No: 1256345-76-2 Catalog No: AG000O13 MDL No:MFCD16295054
Product Description
Catalog Number:
AG000O13
Chemical Name:
Boronic acid, B-[3-methyl-5-(1-methylethoxy)phenyl]-
CAS Number:
1256345-76-2
Molecular Formula:
C10H15BO3
Molecular Weight:
194.0353
MDL Number:
MFCD16295054
IUPAC Name:
(3-methyl-5-propan-2-yloxyphenyl)boronic acid
InChI:
InChI=1S/C10H15BO3/c1-7(2)14-10-5-8(3)4-9(6-10)11(12)13/h4-7,12-13H,1-3H3
InChI Key:
CZCHMHUSIRMAFN-UHFFFAOYSA-N
SMILES:
CC(Oc1cc(cc(c1)C)B(O)O)C
Properties
Complexity:
173
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.111g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
194.037g/mol
Monoisotopic Mass:
194.111g/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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