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141723-90-2 | 1(4H)-Naphthalenone, 2-(acetyloxy)-4-[(3,4-dimethyl-5-isoxazolyl)imino]-
CAS No: 141723-90-2 Catalog No: AG001GXQ MDL No:
Product Description
Catalog Number:
AG001GXQ
Chemical Name:
1(4H)-Naphthalenone, 2-(acetyloxy)-4-[(3,4-dimethyl-5-isoxazolyl)imino]-
CAS Number:
141723-90-2
Molecular Formula:
C17H14N2O4
Molecular Weight:
310.3041
IUPAC Name:
3-acetyl-4-[(3,4-dimethyl-1,2-oxazol-5-yl)imino]naphthalen-1-one
InChI:
InChI=1S/C17H14N2O3/c1-9-10(2)19-22-17(9)18-16-13-7-5-4-6-12(13)15(21)8-14(16)11(3)20/h4-8H,1-3H3
InChI Key:
FCJYNVYLGXFLAL-UHFFFAOYSA-N
SMILES:
CC(=O)OC1=CC(=Nc2onc(c2C)C)c2c(C1=O)cccc2
Properties
Complexity:
552
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.1g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
294.31g/mol
Monoisotopic Mass:
294.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.7
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