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Home > Boronic Acids > 480424-51-9
480424-51-9 | (2-Butoxy-3-formyl-5-methylphenyl);boronic acid
CAS No: 480424-51-9 Catalog No: AG003GTG MDL No:MFCD08276747
Product Description
Catalog Number:
AG003GTG
Chemical Name:
(2-Butoxy-3-formyl-5-methylphenyl);boronic acid
CAS Number:
480424-51-9
Molecular Formula:
C12H17BO4
Molecular Weight:
236.0720
MDL Number:
MFCD08276747
IUPAC Name:
(2-butoxy-3-formyl-5-methylphenyl)boronic acid
InChI:
InChI=1S/C12H17BO4/c1-3-4-5-17-12-10(8-14)6-9(2)7-11(12)13(15)16/h6-8,15-16H,3-5H2,1-2H3
InChI Key:
FADIVFIMGQEBIO-UHFFFAOYSA-N
SMILES:
CCCCOc1c(C=O)cc(cc1B(O)O)C
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.122g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
236.074g/mol
Monoisotopic Mass:
236.122g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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