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Home > Boronic Acids > 850567-28-1
850567-28-1 | (3-((3-Ethoxy-3-oxopropyl)carbamoyl)phenyl)boronic acid
CAS No: 850567-28-1 Catalog No: AG004PCI MDL No:MFCD04115701
Product Description
Catalog Number:
AG004PCI
Chemical Name:
(3-((3-Ethoxy-3-oxopropyl)carbamoyl)phenyl)boronic acid
CAS Number:
850567-28-1
Molecular Formula:
C12H16BNO5
Molecular Weight:
265.0701
MDL Number:
MFCD04115701
IUPAC Name:
[3-[(3-ethoxy-3-oxopropyl)carbamoyl]phenyl]boronic acid
InChI:
InChI=1S/C12H16BNO5/c1-2-19-11(15)6-7-14-12(16)9-4-3-5-10(8-9)13(17)18/h3-5,8,17-18H,2,6-7H2,1H3,(H,14,16)
InChI Key:
COZCKUUEUXAVCK-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCNC(=O)c1cccc(c1)B(O)O
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.112g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
265.072g/mol
Monoisotopic Mass:
265.112g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
95.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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