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Home > Boronic Acids > 313667-09-3
313667-09-3 | 2-ISOPROPYL-4-METHOXYPHENYL BORONIC ACID
CAS No: 313667-09-3 Catalog No: AG01E65L MDL No:
Product Description
Catalog Number:
AG01E65L
Chemical Name:
2-ISOPROPYL-4-METHOXYPHENYL BORONIC ACID
CAS Number:
313667-09-3
Molecular Formula:
C10H15BO3
Molecular Weight:
194.0353
IUPAC Name:
(4-methoxy-2-propan-2-ylphenyl)boronic acid
InChI:
InChI=1S/C10H15BO3/c1-7(2)9-6-8(14-3)4-5-10(9)11(12)13/h4-7,12-13H,1-3H3
InChI Key:
XCGLJABEWPHFMX-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)C(C)C)B(O)O
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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