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Home > Boronic Acids > 357611-51-9
357611-51-9 | (3,5-Dimethyl-4-propoxyphenyl)boronic acid
CAS No: 357611-51-9 Catalog No: AG003BQN MDL No:MFCD05865178
Product Description
Catalog Number:
AG003BQN
Chemical Name:
(3,5-Dimethyl-4-propoxyphenyl)boronic acid
CAS Number:
357611-51-9
Molecular Formula:
C11H17BO3
Molecular Weight:
208.0619
MDL Number:
MFCD05865178
IUPAC Name:
(3,5-dimethyl-4-propoxyphenyl)boronic acid
InChI:
InChI=1S/C11H17BO3/c1-4-5-15-11-8(2)6-10(12(13)14)7-9(11)3/h6-7,13-14H,4-5H2,1-3H3
InChI Key:
ISUPZUFVQLUFLM-UHFFFAOYSA-N
SMILES:
CCCOc1c(C)cc(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:
208.127g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
208.064g/mol
Monoisotopic Mass:
208.127g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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