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Home > Nitro Compounds > 900019-42-3
900019-42-3 | 6-ethyl-4-hydroxy-3-[(4-nitrophenyl)methyl]-2H,5H,6H-pyrano[3,2-c]quinoline-2,5-dione
CAS No: 900019-42-3 Catalog No: AG00ITLZ MDL No:MFCD07021321
Product Description
Catalog Number:
AG00ITLZ
Chemical Name:
6-ethyl-4-hydroxy-3-[(4-nitrophenyl)methyl]-2H,5H,6H-pyrano[3,2-c]quinoline-2,5-dione
CAS Number:
900019-42-3
Molecular Formula:
C21H16N2O6
Molecular Weight:
392.3615
MDL Number:
MFCD07021321
IUPAC Name:
6-ethyl-4-hydroxy-3-[(4-nitrophenyl)methyl]pyrano[3,2-c]quinoline-2,5-dione
InChI:
InChI=1S/C21H16N2O6/c1-2-22-16-6-4-3-5-14(16)19-17(20(22)25)18(24)15(21(26)29-19)11-12-7-9-13(10-8-12)23(27)28/h3-10,24H,2,11H2,1H3
InChI Key:
ZCIAAFZMOZKIBO-UHFFFAOYSA-N
SMILES:
CCn1c(=O)c2c(O)c(Cc3ccc(cc3)[N+](=O)[O-])c(=O)oc2c2c1cccc2
Properties
Complexity:
788
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
392.101g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
392.367g/mol
Monoisotopic Mass:
392.101g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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