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142052-73-1 | 5(4H)-Oxazolone, 4-(1(2H)-isoquinolinylidene)-2-methyl-
CAS No: 142052-73-1 Catalog No: AG001HN2 MDL No:
Product Description
Catalog Number:
AG001HN2
Chemical Name:
5(4H)-Oxazolone, 4-(1(2H)-isoquinolinylidene)-2-methyl-
CAS Number:
142052-73-1
Molecular Formula:
C13H10N2O2
Molecular Weight:
226.2307
IUPAC Name:
4-isoquinolin-1-yl-2-methyl-1,3-oxazol-5-ol
InChI:
InChI=1S/C13H10N2O2/c1-8-15-12(13(16)17-8)11-10-5-3-2-4-9(10)6-7-14-11/h2-7,16H,1H3
InChI Key:
MLWVSAPJYWLIRB-UHFFFAOYSA-N
SMILES:
CC1=NC(=c2[nH]ccc3c2cccc3)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:
2.6
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