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1217500-56-5 | Boronic acid, B-(4-ethoxy-2,5-dimethylphenyl)-
CAS No: 1217500-56-5 Catalog No: AG0015PC MDL No:MFCD12026704
Product Description
Catalog Number:
AG0015PC
Chemical Name:
Boronic acid, B-(4-ethoxy-2,5-dimethylphenyl)-
CAS Number:
1217500-56-5
Molecular Formula:
C10H15BO3
Molecular Weight:
194.0353
MDL Number:
MFCD12026704
IUPAC Name:
(4-ethoxy-2,5-dimethylphenyl)boronic acid
InChI:
InChI=1S/C10H15BO3/c1-4-14-10-6-7(2)9(11(12)13)5-8(10)3/h5-6,12-13H,4H2,1-3H3
InChI Key:
LCSUJJZAQIIJTR-UHFFFAOYSA-N
SMILES:
CCOc1cc(C)c(cc1C)B(O)O
Properties
Complexity:
175
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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