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Home > Boronic Acids > 957061-22-2
957061-22-2 | (3-((3-Methoxypropyl)carbamoyl)phenyl)boronic acid
CAS No: 957061-22-2 Catalog No: AG00H83W MDL No:MFCD09258755
Product Description
Catalog Number:
AG00H83W
Chemical Name:
(3-((3-Methoxypropyl)carbamoyl)phenyl)boronic acid
CAS Number:
957061-22-2
Molecular Formula:
C11H16BNO4
Molecular Weight:
237.0600
MDL Number:
MFCD09258755
IUPAC Name:
[3-(3-methoxypropylcarbamoyl)phenyl]boronic acid
InChI:
InChI=1S/C11H16BNO4/c1-17-7-3-6-13-11(14)9-4-2-5-10(8-9)12(15)16/h2,4-5,8,15-16H,3,6-7H2,1H3,(H,13,14)
InChI Key:
MICYHWLTBQBPRM-UHFFFAOYSA-N
SMILES:
COCCCNC(=O)c1cccc(c1)B(O)O
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.117g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
237.062g/mol
Monoisotopic Mass:
237.117g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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