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Home > Boronic Acids > 693286-55-4
693286-55-4 | (2-Isopropyl-6-methylphenyl);boronic acid
CAS No: 693286-55-4 Catalog No: AG005NR3 MDL No:MFCD11043436
Product Description
Catalog Number:
AG005NR3
Chemical Name:
(2-Isopropyl-6-methylphenyl);boronic acid
CAS Number:
693286-55-4
Molecular Formula:
C10H15BO2
Molecular Weight:
178.0359
MDL Number:
MFCD11043436
IUPAC Name:
(2-methyl-6-propan-2-ylphenyl)boronic acid
InChI:
InChI=1S/C10H15BO2/c1-7(2)9-6-4-5-8(3)10(9)11(12)13/h4-7,12-13H,1-3H3
InChI Key:
PJYHJOUTVMAXLG-UHFFFAOYSA-N
SMILES:
CC(c1cccc(c1B(O)O)C)C
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.117g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
178.038g/mol
Monoisotopic Mass:
178.117g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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