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Home > Boronic Acids > 1256346-31-2
1256346-31-2 | Boronic acid, B-[5-(dimethoxymethyl)-3-pyridinyl]-
CAS No: 1256346-31-2 Catalog No: AG000O2H MDL No:MFCD16295080
Product Description
Catalog Number:
AG000O2H
Chemical Name:
Boronic acid, B-[5-(dimethoxymethyl)-3-pyridinyl]-
CAS Number:
1256346-31-2
Molecular Formula:
C8H12BNO4
Molecular Weight:
196.9962
MDL Number:
MFCD16295080
IUPAC Name:
[5-(dimethoxymethyl)pyridin-3-yl]boronic acid
InChI:
InChI=1S/C8H12BNO4/c1-13-8(14-2)6-3-7(9(11)12)5-10-4-6/h3-5,8,11-12H,1-2H3
InChI Key:
FBNACDCFMQPHKW-UHFFFAOYSA-N
SMILES:
COC(c1cncc(c1)B(O)O)OC
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.086g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
196.997g/mol
Monoisotopic Mass:
197.086g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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