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Home > Pyridines > 881303-54-4
881303-54-4 | 1-Pentanone, 3-hydroxy-4,4-dimethyl-1-(2-pyridinyl)-
CAS No: 881303-54-4 Catalog No: AG004DU5 MDL No:
Product Description
Catalog Number:
AG004DU5
Chemical Name:
1-Pentanone, 3-hydroxy-4,4-dimethyl-1-(2-pyridinyl)-
CAS Number:
881303-54-4
Molecular Formula:
C12H17NO2
Molecular Weight:
207.2689
IUPAC Name:
3-hydroxy-4,4-dimethyl-1-pyridin-2-ylpentan-1-one
InChI:
InChI=1S/C12H17NO2/c1-12(2,3)11(15)8-10(14)9-6-4-5-7-13-9/h4-7,11,15H,8H2,1-3H3
InChI Key:
KEBJVCQABUDIJZ-UHFFFAOYSA-N
SMILES:
OC(C(C)(C)C)CC(=O)c1ccccn1
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.126g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
207.273g/mol
Monoisotopic Mass:
207.126g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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