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Home > Boronic Acids > 1310404-22-8
1310404-22-8 | Boronic acid, B-(3-methoxy-5-methyl-4-pyridinyl)-
CAS No: 1310404-22-8 Catalog No: AG000VF8 MDL No:MFCD07374999
Product Description
Catalog Number:
AG000VF8
Chemical Name:
Boronic acid, B-(3-methoxy-5-methyl-4-pyridinyl)-
CAS Number:
1310404-22-8
Molecular Formula:
C7H10BNO3
Molecular Weight:
166.9702
MDL Number:
MFCD07374999
IUPAC Name:
(3-methoxy-5-methylpyridin-4-yl)boronic acid
InChI:
InChI=1S/C7H10BNO3/c1-5-3-9-4-6(12-2)7(5)8(10)11/h3-4,10-11H,1-2H3
InChI Key:
VDXABCHRXJADOK-UHFFFAOYSA-N
SMILES:
COc1cncc(c1B(O)O)C
Properties
Complexity:
145
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.075g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
166.971g/mol
Monoisotopic Mass:
167.075g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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