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Home > Boronic Acids > 957034-72-9
957034-72-9 | (3-((3-Methoxy-3-oxopropyl)carbamoyl)phenyl)boronic acid
CAS No: 957034-72-9 Catalog No: AG006BSK MDL No:MFCD09475827
Product Description
Catalog Number:
AG006BSK
Chemical Name:
(3-((3-Methoxy-3-oxopropyl)carbamoyl)phenyl)boronic acid
CAS Number:
957034-72-9
Molecular Formula:
C11H14BNO5
Molecular Weight:
251.0436
MDL Number:
MFCD09475827
IUPAC Name:
[3-[(3-methoxy-3-oxopropyl)carbamoyl]phenyl]boronic acid
InChI:
InChI=1S/C11H14BNO5/c1-18-10(14)5-6-13-11(15)8-3-2-4-9(7-8)12(16)17/h2-4,7,16-17H,5-6H2,1H3,(H,13,15)
InChI Key:
HOSNWHARMRFHGM-UHFFFAOYSA-N
SMILES:
COC(=O)CCNC(=O)c1cccc(c1)B(O)O
Properties
Complexity:
297
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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