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Home > Boronic Acids > 913835-51-5
913835-51-5 | (E);-(3-(3-Ethoxy-3-oxoprop-1-en-1-yl);phenyl);boronic acid
CAS No: 913835-51-5 Catalog No: AG006NKN MDL No:MFCD08689480
Product Description
Catalog Number:
AG006NKN
Chemical Name:
(E);-(3-(3-Ethoxy-3-oxoprop-1-en-1-yl);phenyl);boronic acid
CAS Number:
913835-51-5
Molecular Formula:
C11H13BO4
Molecular Weight:
220.0295
MDL Number:
MFCD08689480
IUPAC Name:
[3-[(E)-3-ethoxy-3-oxoprop-1-enyl]phenyl]boronic acid
InChI:
InChI=1S/C11H13BO4/c1-2-16-11(13)7-6-9-4-3-5-10(8-9)12(14)15/h3-8,14-15H,2H2,1H3/b7-6+
InChI Key:
UIZGQEYEJKAASO-VOTSOKGWSA-N
SMILES:
CCOC(=O)/C=C/c1cccc(c1)B(O)O
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
220.091g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
220.031g/mol
Monoisotopic Mass:
220.091g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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