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Home > Boronic Acids > 1451391-97-1
1451391-97-1 | 5-METHOXY-4-METHYLPYRIDINE-3-BORONIC ACID
CAS No: 1451391-97-1 Catalog No: AG01DNHC MDL No:MFCD18258515
Product Description
Catalog Number:
AG01DNHC
Chemical Name:
5-METHOXY-4-METHYLPYRIDINE-3-BORONIC ACID
CAS Number:
1451391-97-1
Molecular Formula:
C7H10BNO3
Molecular Weight:
166.9702
MDL Number:
MFCD18258515
IUPAC Name:
(5-methoxy-4-methylpyridin-3-yl)boronic acid
InChI:
InChI=1S/C7H10BNO3/c1-5-6(8(10)11)3-9-4-7(5)12-2/h3-4,10-11H,1-2H3
InChI Key:
ZVTIEIFFLNVVJQ-UHFFFAOYSA-N
SMILES:
COc1cncc(c1C)B(O)O
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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