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Home > Boronic Acids > 850568-09-1
850568-09-1 | 4-Isopropoxy-3-methylphenylboronic acid
CAS No: 850568-09-1 Catalog No: AG004SI8 MDL No:MFCD06659871
Product Description
Catalog Number:
AG004SI8
Chemical Name:
4-Isopropoxy-3-methylphenylboronic acid
CAS Number:
850568-09-1
Molecular Formula:
C10H15BO3
Molecular Weight:
194.0353
MDL Number:
MFCD06659871
IUPAC Name:
(3-methyl-4-propan-2-yloxyphenyl)boronic acid
InChI:
InChI=1S/C10H15BO3/c1-7(2)14-10-5-4-9(11(12)13)6-8(10)3/h4-7,12-13H,1-3H3
InChI Key:
XRGBZDZYYQVOJZ-UHFFFAOYSA-N
SMILES:
CC(Oc1ccc(cc1C)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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