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132338-12-6 | 2(3H)-Oxazolone, 4-methyl-5-(4-pyridinyl)-
CAS No: 132338-12-6 Catalog No: AG0010KM MDL No:
Product Description
Catalog Number:
AG0010KM
Chemical Name:
2(3H)-Oxazolone, 4-methyl-5-(4-pyridinyl)-
CAS Number:
132338-12-6
Molecular Formula:
C9H8N2O2
Molecular Weight:
176.1720
IUPAC Name:
4-methyl-5-pyridin-4-yl-3H-1,3-oxazol-2-one
InChI:
InChI=1S/C9H8N2O2/c1-6-8(13-9(12)11-6)7-2-4-10-5-3-7/h2-5H,1H3,(H,11,12)
InChI Key:
HYFQYGZLUXYDEG-UHFFFAOYSA-N
SMILES:
O=c1oc(c([nH]1)C)c1ccncc1
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.059g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
176.175g/mol
Monoisotopic Mass:
176.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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