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64388-88-1 | 1-(pyridin-2-yl)pentane-1,4-dione
CAS No: 64388-88-1 Catalog No: AG00VTRN MDL No:MFCD07699205
Product Description
Catalog Number:
AG00VTRN
Chemical Name:
1-(pyridin-2-yl)pentane-1,4-dione
CAS Number:
64388-88-1
Molecular Formula:
C10H11NO2
Molecular Weight:
177.1998
MDL Number:
MFCD07699205
IUPAC Name:
1-pyridin-2-ylpentane-1,4-dione
InChI:
InChI=1S/C10H11NO2/c1-8(12)5-6-10(13)9-4-2-3-7-11-9/h2-4,7H,5-6H2,1H3
InChI Key:
WIXUHWZXLXGAKM-UHFFFAOYSA-N
SMILES:
CC(=O)CCC(=O)c1ccccn1
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.079g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
177.203g/mol
Monoisotopic Mass:
177.079g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
47A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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