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Home > Boronic Acids > 850568-78-4
850568-78-4 | 3-(propoxycarbonyl)phenylboronic acid
CAS No: 850568-78-4 Catalog No: AG0036FS MDL No:MFCD06659851
Product Description
Catalog Number:
AG0036FS
Chemical Name:
3-(propoxycarbonyl)phenylboronic acid
CAS Number:
850568-78-4
Molecular Formula:
C10H13BO4
Molecular Weight:
208.0188
MDL Number:
MFCD06659851
IUPAC Name:
(3-propoxycarbonylphenyl)boronic acid
InChI:
InChI=1S/C10H13BO4/c1-2-6-15-10(12)8-4-3-5-9(7-8)11(13)14/h3-5,7,13-14H,2,6H2,1H3
InChI Key:
BSCFVVVAJINDLA-UHFFFAOYSA-N
SMILES:
CCCOC(=O)c1cccc(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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