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Home > Nitro Compounds > 303985-86-6
303985-86-6 | (4E)-4-[2-(3-nitrophenyl)hydrazin-1-ylidene]-3,4-dihydro-1H-2-benzopyran-1,3-dione
CAS No: 303985-86-6 Catalog No: AG00IVG6 MDL No:MFCD00793380
Product Description
Catalog Number:
AG00IVG6
Chemical Name:
(4E)-4-[2-(3-nitrophenyl)hydrazin-1-ylidene]-3,4-dihydro-1H-2-benzopyran-1,3-dione
CAS Number:
303985-86-6
Molecular Formula:
C15H9N3O5
Molecular Weight:
311.2491
MDL Number:
MFCD00793380
IUPAC Name:
1-hydroxy-4-[(3-nitrophenyl)diazenyl]isochromen-3-one
InChI:
InChI=1S/C15H9N3O5/c19-14-12-7-2-1-6-11(12)13(15(20)23-14)17-16-9-4-3-5-10(8-9)18(21)22/h1-8,19H
InChI Key:
GDMSBMDNWKDHAF-UHFFFAOYSA-N
SMILES:
O=C1OC(=O)c2c(/C/1=N\Nc1cccc(c1)[N+](=O)[O-])cccc2
Properties
Complexity:
696
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.054g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
311.253g/mol
Monoisotopic Mass:
311.054g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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