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Home > Boronic Acids > 1309982-61-3
1309982-61-3 | Boronic acid, B-(2-ethoxy-4-methyl-3-pyridinyl)-
CAS No: 1309982-61-3 Catalog No: AG000V9K MDL No:MFCD07374997
Product Description
Catalog Number:
AG000V9K
Chemical Name:
Boronic acid, B-(2-ethoxy-4-methyl-3-pyridinyl)-
CAS Number:
1309982-61-3
Molecular Formula:
C8H12BNO3
Molecular Weight:
180.9968
MDL Number:
MFCD07374997
IUPAC Name:
(2-ethoxy-4-methylpyridin-3-yl)boronic acid
InChI:
InChI=1S/C8H12BNO3/c1-3-13-8-7(9(11)12)6(2)4-5-10-8/h4-5,11-12H,3H2,1-2H3
InChI Key:
RXEMDUDOXFSVOJ-UHFFFAOYSA-N
SMILES:
CCOc1nccc(c1B(O)O)C
Properties
Complexity:
156
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.091g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
180.998g/mol
Monoisotopic Mass:
181.091g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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