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36139-44-3 | anthra[1,2-c]isoxazole-6,11-dione
CAS No: 36139-44-3 Catalog No: AG007BD2 MDL No:
Product Description
Catalog Number:
AG007BD2
Chemical Name:
anthra[1,2-c]isoxazole-6,11-dione
CAS Number:
36139-44-3
Molecular Formula:
C15H7NO3
Molecular Weight:
249.2210
IUPAC Name:
naphtho[2,3-g][2,1]benzoxazole-6,11-dione
InChI:
InChI=1S/C15H7NO3/c17-14-9-3-1-2-4-10(9)15(18)12-11(14)6-5-8-7-19-16-13(8)12/h1-7H
InChI Key:
IRIKYSAFFJRSMS-UHFFFAOYSA-N
SMILES:
O=C1c2ccccc2C(=O)c2c1ccc1c2noc1
EC Number:
609-211-8
NSC Number:
628939
Properties
Complexity:
422
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.043g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.225g/mol
Monoisotopic Mass:
249.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
60.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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