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Home > Boronic Acids > 1072946-08-7
1072946-08-7 | (4-((2-Ethoxy-2-oxoethyl);carbamoyl);phenyl);boronic acid
CAS No: 1072946-08-7 Catalog No: AG003BTT MDL No:MFCD09972113
Product Description
Catalog Number:
AG003BTT
Chemical Name:
(4-((2-Ethoxy-2-oxoethyl);carbamoyl);phenyl);boronic acid
CAS Number:
1072946-08-7
Molecular Formula:
C11H14BNO5
Molecular Weight:
251.0436
MDL Number:
MFCD09972113
IUPAC Name:
[4-[(2-ethoxy-2-oxoethyl)carbamoyl]phenyl]boronic acid
InChI:
InChI=1S/C11H14BNO5/c1-2-18-10(14)7-13-11(15)8-3-5-9(6-4-8)12(16)17/h3-6,16-17H,2,7H2,1H3,(H,13,15)
InChI Key:
BZBZSOPFQYUDJF-UHFFFAOYSA-N
SMILES:
CCOC(=O)CNC(=O)c1ccc(cc1)B(O)O
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.097g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
251.045g/mol
Monoisotopic Mass:
251.097g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
95.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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