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142052-72-0 | 5(4H)-Oxazolone, 2-methyl-4-(2(1H)-quinolinylidene)-
CAS No: 142052-72-0 Catalog No: AG001HN3 MDL No:
Product Description
Catalog Number:
AG001HN3
Chemical Name:
5(4H)-Oxazolone, 2-methyl-4-(2(1H)-quinolinylidene)-
CAS Number:
142052-72-0
Molecular Formula:
C13H10N2O2
Molecular Weight:
226.2307
IUPAC Name:
2-methyl-4-quinolin-2-yl-1,3-oxazol-5-ol
InChI:
InChI=1S/C13H10N2O2/c1-8-14-12(13(16)17-8)11-7-6-9-4-2-3-5-10(9)15-11/h2-7,16H,1H3
InChI Key:
UGQHAZHLTNUBNU-UHFFFAOYSA-N
SMILES:
CC1=NC(=c2ccc3c([nH]2)cccc3)C(=O)O1
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.074g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
226.235g/mol
Monoisotopic Mass:
226.074g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
59.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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