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259873-70-6 | 2H-1-Benzopyran-2-one, 7-hydroxy-4-methyl-3-[2-(2-nitrophenyl)diazenyl]-
CAS No: 259873-70-6 Catalog No: AG002RB1 MDL No:
Product Description
Catalog Number:
AG002RB1
Chemical Name:
2H-1-Benzopyran-2-one, 7-hydroxy-4-methyl-3-[2-(2-nitrophenyl)diazenyl]-
CAS Number:
259873-70-6
Molecular Formula:
C16H11N3O5
Molecular Weight:
325.2756
IUPAC Name:
7-hydroxy-4-methyl-3-[(2-nitrophenyl)diazenyl]chromen-2-one
InChI:
InChI=1S/C16H11N3O5/c1-9-11-7-6-10(20)8-14(11)24-16(21)15(9)18-17-12-4-2-3-5-13(12)19(22)23/h2-8,20H,1H3
InChI Key:
SHKAYVSWVSZCCU-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1)oc(=O)c(c2C)N=Nc1ccccc1[N+](=O)[O-]
Properties
Complexity:
583
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.07g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
325.28g/mol
Monoisotopic Mass:
325.07g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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