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Home > Boronic Acids > 762262-11-3
762262-11-3 | (3-((2-Cyanoethyl)carbamoyl)phenyl)boronic acid
CAS No: 762262-11-3 Catalog No: AG005RJG MDL No:MFCD04115697
Product Description
Catalog Number:
AG005RJG
Chemical Name:
(3-((2-Cyanoethyl)carbamoyl)phenyl)boronic acid
CAS Number:
762262-11-3
Molecular Formula:
C10H11BN2O3
Molecular Weight:
218.0169
MDL Number:
MFCD04115697
IUPAC Name:
[3-(2-cyanoethylcarbamoyl)phenyl]boronic acid
InChI:
InChI=1S/C10H11BN2O3/c12-5-2-6-13-10(14)8-3-1-4-9(7-8)11(15)16/h1,3-4,7,15-16H,2,6H2,(H,13,14)
InChI Key:
RIXOLHWXBQWQFL-UHFFFAOYSA-N
SMILES:
N#CCCNC(=O)c1cccc(c1)B(O)O
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.086g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
218.019g/mol
Monoisotopic Mass:
218.086g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
93.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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