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Home > Boronic Acids > 953075-89-3
953075-89-3 | (2-Ethyl-6-methylphenyl)boronic acid
CAS No: 953075-89-3 Catalog No: AG003H7C MDL No:
Product Description
Catalog Number:
AG003H7C
Chemical Name:
(2-Ethyl-6-methylphenyl)boronic acid
CAS Number:
953075-89-3
Molecular Formula:
C9H13BO2
Molecular Weight:
164.0093
IUPAC Name:
(2-ethyl-6-methylphenyl)boronic acid
InChI:
InChI=1S/C9H13BO2/c1-3-8-6-4-5-7(2)9(8)10(11)12/h4-6,11-12H,3H2,1-2H3
InChI Key:
QDSUHZPUFWHFNI-UHFFFAOYSA-N
SMILES:
CCc1cccc(c1B(O)O)C
Properties
Complexity:
139
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.101g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
164.011g/mol
Monoisotopic Mass:
164.101g/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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