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Home > Boronic Acids > 824390-17-2
824390-17-2 | Boronic acid, [3-methyl-4-(1-methylethyl)phenyl]-
CAS No: 824390-17-2 Catalog No: AG00522W MDL No:
Product Description
Catalog Number:
AG00522W
Chemical Name:
Boronic acid, [3-methyl-4-(1-methylethyl)phenyl]-
CAS Number:
824390-17-2
Molecular Formula:
C10H15BO2
Molecular Weight:
178.0359
IUPAC Name:
(3-methyl-4-propan-2-ylphenyl)boronic acid
InChI:
InChI=1S/C10H15BO2/c1-7(2)10-5-4-9(11(12)13)6-8(10)3/h4-7,12-13H,1-3H3
InChI Key:
AALLJQCXECLAQR-UHFFFAOYSA-N
SMILES:
OB(c1ccc(c(c1)C)C(C)C)O
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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