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1310405-08-3 | Boronic acid, B-(3-amino-5-ethoxy-4-pyridinyl)-
CAS No: 1310405-08-3 Catalog No: AG000VFS MDL No:MFCD07375001
Product Description
Catalog Number:
AG000VFS
Chemical Name:
Boronic acid, B-(3-amino-5-ethoxy-4-pyridinyl)-
CAS Number:
1310405-08-3
Molecular Formula:
C7H11BN2O3
Molecular Weight:
181.9848
MDL Number:
MFCD07375001
IUPAC Name:
(3-amino-5-ethoxypyridin-4-yl)boronic acid
InChI:
InChI=1S/C7H11BN2O3/c1-2-13-6-4-10-3-5(9)7(6)8(11)12/h3-4,11-12H,2,9H2,1H3
InChI Key:
KGUJMQCOCWYHRB-UHFFFAOYSA-N
SMILES:
CCOc1cncc(c1B(O)O)N
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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