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Home > Boronic Acids > 913835-34-4
913835-34-4 | (4-(Diethylcarbamoyl);-2-methoxyphenyl);boronic acid
CAS No: 913835-34-4 Catalog No: AG006NKQ MDL No:MFCD09027199
Product Description
Catalog Number:
AG006NKQ
Chemical Name:
(4-(Diethylcarbamoyl);-2-methoxyphenyl);boronic acid
CAS Number:
913835-34-4
Molecular Formula:
C12H18BNO4
Molecular Weight:
251.0866
MDL Number:
MFCD09027199
IUPAC Name:
[4-(diethylcarbamoyl)-2-methoxyphenyl]boronic acid
InChI:
InChI=1S/C12H18BNO4/c1-4-14(5-2)12(15)9-6-7-10(13(16)17)11(8-9)18-3/h6-8,16-17H,4-5H2,1-3H3
InChI Key:
VKKSSTUUJZQAQY-UHFFFAOYSA-N
SMILES:
CCN(C(=O)c1ccc(c(c1)OC)B(O)O)CC
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.133g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
251.089g/mol
Monoisotopic Mass:
251.133g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
70A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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