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81620-93-1 | 1(4H)-Naphthalenone, 4-[(3,5-dimethyl-4-isoxazolyl)imino]-2-hydroxy-
CAS No: 81620-93-1 Catalog No: AG008LZO MDL No:
Product Description
Catalog Number:
AG008LZO
Chemical Name:
1(4H)-Naphthalenone, 4-[(3,5-dimethyl-4-isoxazolyl)imino]-2-hydroxy-
CAS Number:
81620-93-1
Molecular Formula:
C15H12N2O3
Molecular Weight:
268.2674
IUPAC Name:
4-[(3,5-dimethyl-1,2-oxazol-4-yl)amino]naphthalene-1,2-dione
InChI:
InChI=1S/C15H12N2O3/c1-8-14(9(2)20-17-8)16-12-7-13(18)15(19)11-6-4-3-5-10(11)12/h3-7,16H,1-2H3
InChI Key:
OAZDJMDRTWLYHH-UHFFFAOYSA-N
SMILES:
O=C1C(=CC(=Nc2c(C)noc2C)c2c1cccc2)O
Properties
Complexity:
460
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.085g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
268.272g/mol
Monoisotopic Mass:
268.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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