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138453-37-9 | 1,2-Naphthalenedione, 4-[(5-methyl-4-isoxazolyl)amino]-
CAS No: 138453-37-9 Catalog No: AG00197G MDL No:
Product Description
Catalog Number:
AG00197G
Chemical Name:
1,2-Naphthalenedione, 4-[(5-methyl-4-isoxazolyl)amino]-
CAS Number:
138453-37-9
Molecular Formula:
C14H10N2O3
Molecular Weight:
254.2408
IUPAC Name:
4-[(5-methyl-1,3-oxazol-4-yl)amino]naphthalene-1,2-dione
InChI:
InChI=1S/C14H10N2O3/c1-8-14(15-7-19-8)16-11-6-12(17)13(18)10-5-3-2-4-9(10)11/h2-7,16H,1H3
InChI Key:
GCIMQWZRMAJZMQ-UHFFFAOYSA-N
SMILES:
O=C1C=C(Nc2cnoc2C)c2c(C1=O)cccc2
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:
1.9
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