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110124-55-5 | 2(3H)-Oxazolone,4-propyl-5-(4-pyridinyl)-
CAS No: 110124-55-5 Catalog No: AG007VRL MDL No:
Product Description
Catalog Number:
AG007VRL
Chemical Name:
2(3H)-Oxazolone,4-propyl-5-(4-pyridinyl)-
CAS Number:
110124-55-5
Molecular Formula:
C11H12N2O2
Molecular Weight:
204.2252
IUPAC Name:
4-propyl-5-pyridin-4-yl-3H-1,3-oxazol-2-one
InChI:
InChI=1S/C11H12N2O2/c1-2-3-9-10(15-11(14)13-9)8-4-6-12-7-5-8/h4-7H,2-3H2,1H3,(H,13,14)
InChI Key:
BOCATKBAKISRLA-UHFFFAOYSA-N
SMILES:
CCCc1[nH]c(=O)oc1c1ccncc1
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.09g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
204.229g/mol
Monoisotopic Mass:
204.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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