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Home > Nitro Compounds > 89847-51-8
89847-51-8 | 2-Propenoic acid, 3-(4-hydroxy-6-nitro-2-quinolinyl)-
CAS No: 89847-51-8 Catalog No: AG003YQR MDL No:
Product Description
Catalog Number:
AG003YQR
Chemical Name:
2-Propenoic acid, 3-(4-hydroxy-6-nitro-2-quinolinyl)-
CAS Number:
89847-51-8
Molecular Formula:
C12H8N2O5
Molecular Weight:
260.2023
IUPAC Name:
3-(6-nitro-4-oxo-1H-quinolin-2-yl)prop-2-enoic acid
InChI:
InChI=1S/C12H8N2O5/c15-11-5-7(1-4-12(16)17)13-10-3-2-8(14(18)19)6-9(10)11/h1-6H,(H,13,15)(H,16,17)
InChI Key:
SMEZTCZSCDHMMS-UHFFFAOYSA-N
SMILES:
OC(=O)C=Cc1cc(O)c2c(n1)ccc(c2)[N+](=O)[O-]
Properties
Complexity:
477
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.043g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
260.205g/mol
Monoisotopic Mass:
260.043g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.3
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