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Home > Boronic Acids > 957062-53-2
957062-53-2 | (5-(Ethoxycarbonyl);-2-methoxyphenyl);boronic acid
CAS No: 957062-53-2 Catalog No: AG00H83V MDL No:MFCD09800892
Product Description
Catalog Number:
AG00H83V
Chemical Name:
(5-(Ethoxycarbonyl);-2-methoxyphenyl);boronic acid
CAS Number:
957062-53-2
Molecular Formula:
C10H13BO5
Molecular Weight:
224.0182
MDL Number:
MFCD09800892
IUPAC Name:
(5-ethoxycarbonyl-2-methoxyphenyl)boronic acid
InChI:
InChI=1S/C10H13BO5/c1-3-16-10(12)7-4-5-9(15-2)8(6-7)11(13)14/h4-6,13-14H,3H2,1-2H3
InChI Key:
NNQFBMDJWJUGQO-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(c(c1)B(O)O)OC
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.086g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
224.019g/mol
Monoisotopic Mass:
224.086g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
76A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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