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138473-92-4 | 1(4H)-Naphthalenone, 2-hydroxy-4-[(5-methyl-4-isoxazolyl)imino]-
CAS No: 138473-92-4 Catalog No: AG00198L MDL No:
Product Description
Catalog Number:
AG00198L
Chemical Name:
1(4H)-Naphthalenone, 2-hydroxy-4-[(5-methyl-4-isoxazolyl)imino]-
CAS Number:
138473-92-4
Molecular Formula:
C14H10N2O3
Molecular Weight:
254.2408
IUPAC Name:
4-[(5-methyl-1,2-oxazol-4-yl)amino]naphthalene-1,2-dione
InChI:
InChI=1S/C14H10N2O3/c1-8-12(7-15-19-8)16-11-6-13(17)14(18)10-5-3-2-4-9(10)11/h2-7,16H,1H3
InChI Key:
FOOWZVXRYSYDHR-UHFFFAOYSA-N
SMILES:
OC1=CC(=Nc2cnoc2C)c2c(C1=O)cccc2
NSC Number:
673786
Properties
Complexity:
432
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.069g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
254.245g/mol
Monoisotopic Mass:
254.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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