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Home > Boronic Acids > 1256345-69-3
1256345-69-3 | Benzeneacetic acid, 3-borono-, 1-ethyl ester
CAS No: 1256345-69-3 Catalog No: AG000NZW MDL No:MFCD04115648
Product Description
Catalog Number:
AG000NZW
Chemical Name:
Benzeneacetic acid, 3-borono-, 1-ethyl ester
CAS Number:
1256345-69-3
Molecular Formula:
C10H13BO4
Molecular Weight:
208.0188
MDL Number:
MFCD04115648
IUPAC Name:
[3-(2-ethoxy-2-oxoethyl)phenyl]boronic acid
InChI:
InChI=1S/C10H13BO4/c1-2-15-10(12)7-8-4-3-5-9(6-8)11(13)14/h3-6,13-14H,2,7H2,1H3
InChI Key:
GDWZKERCECMYJX-UHFFFAOYSA-N
SMILES:
CCOC(=O)Cc1cccc(c1)B(O)O
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.091g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
208.02g/mol
Monoisotopic Mass:
208.091g/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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