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Home > Boronic Acids > 850567-29-2
850567-29-2 | (3-(Allylcarbamoyl)phenyl)boronic acid
CAS No: 850567-29-2 Catalog No: AG0036DI MDL No:MFCD04115702
Product Description
Catalog Number:
AG0036DI
Chemical Name:
(3-(Allylcarbamoyl)phenyl)boronic acid
CAS Number:
850567-29-2
Molecular Formula:
C10H12BNO3
Molecular Weight:
205.0182
MDL Number:
MFCD04115702
IUPAC Name:
[3-(prop-2-enylcarbamoyl)phenyl]boronic acid
InChI:
InChI=1S/C10H12BNO3/c1-2-6-12-10(13)8-4-3-5-9(7-8)11(14)15/h2-5,7,14-15H,1,6H2,(H,12,13)
InChI Key:
BGDGMVTUXWBLLR-UHFFFAOYSA-N
SMILES:
C=CCNC(=O)c1cccc(c1)B(O)O
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.091g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
205.02g/mol
Monoisotopic Mass:
205.091g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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