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480425-29-4 | (E);-(4-Butylstyryl);boronic acid
CAS No: 480425-29-4 Catalog No: AG003C02 MDL No:MFCD06202493
Product Description
Catalog Number:
AG003C02
Chemical Name:
(E);-(4-Butylstyryl);boronic acid
CAS Number:
480425-29-4
Molecular Formula:
C12H17BO2
Molecular Weight:
204.0732
MDL Number:
MFCD06202493
IUPAC Name:
[(E)-2-(4-butylphenyl)ethenyl]boronic acid
InChI:
InChI=1S/C12H17BO2/c1-2-3-4-11-5-7-12(8-6-11)9-10-13(14)15/h5-10,14-15H,2-4H2,1H3/b10-9+
InChI Key:
AJCKKPVFZKJQTH-MDZDMXLPSA-N
SMILES:
CCCCc1ccc(cc1)/C=C/B(O)O
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
204.132g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
204.076g/mol
Monoisotopic Mass:
204.132g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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