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1309982-25-9 | Boronic acid, B-(5-amino-6-ethoxy-3-pyridinyl)-
CAS No: 1309982-25-9 Catalog No: AG000V9X MDL No:MFCD07374970
Product Description
Catalog Number:
AG000V9X
Chemical Name:
Boronic acid, B-(5-amino-6-ethoxy-3-pyridinyl)-
CAS Number:
1309982-25-9
Molecular Formula:
C7H11BN2O3
Molecular Weight:
181.9848
MDL Number:
MFCD07374970
IUPAC Name:
(5-amino-6-ethoxypyridin-3-yl)boronic acid
InChI:
InChI=1S/C7H11BN2O3/c1-2-13-7-6(9)3-5(4-10-7)8(11)12/h3-4,11-12H,2,9H2,1H3
InChI Key:
XVFQCTDBDVMTIZ-UHFFFAOYSA-N
SMILES:
CCOc1ncc(cc1N)B(O)O
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.086g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
181.986g/mol
Monoisotopic Mass:
182.086g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
88.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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