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Home > Pyridines > 101168-47-2
101168-47-2 | 2-Propanone, 1-ethoxy-3-(2-pyridinyl)-
CAS No: 101168-47-2 Catalog No: AG0003VH MDL No:MFCD15474997
Product Description
Catalog Number:
AG0003VH
Chemical Name:
2-Propanone, 1-ethoxy-3-(2-pyridinyl)-
CAS Number:
101168-47-2
Molecular Formula:
C10H13NO2
Molecular Weight:
179.2157
MDL Number:
MFCD15474997
IUPAC Name:
1-ethoxy-3-pyridin-2-ylpropan-2-one
InChI:
InChI=1S/C10H13NO2/c1-2-13-8-10(12)7-9-5-3-4-6-11-9/h3-6H,2,7-8H2,1H3
InChI Key:
VGKRBPGPARBAPJ-UHFFFAOYSA-N
SMILES:
CCOCC(=O)Cc1ccccn1
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.095g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
179.219g/mol
Monoisotopic Mass:
179.095g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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