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878045-66-0 | 2-Propenoic acid, 2-methyl-, 4-[(8-hydroxy-4-quinolinyl)azo]phenyl ester
CAS No: 878045-66-0 Catalog No: AG004F7J MDL No:
Product Description
Catalog Number:
AG004F7J
Chemical Name:
2-Propenoic acid, 2-methyl-, 4-[(8-hydroxy-4-quinolinyl)azo]phenyl ester
CAS Number:
878045-66-0
Molecular Formula:
C19H15N3O3
Molecular Weight:
333.3407
IUPAC Name:
[4-[(8-hydroxyquinolin-4-yl)diazenyl]phenyl] 2-methylprop-2-enoate
InChI:
InChI=1S/C19H15N3O3/c1-12(2)19(24)25-14-8-6-13(7-9-14)21-22-16-10-11-20-18-15(16)4-3-5-17(18)23/h3-11,23H,1H2,2H3
InChI Key:
BXTCLKFHWPBSNN-UHFFFAOYSA-N
SMILES:
CC(=C)C(=O)Oc1ccc(cc1)N=Nc1ccnc2c1cccc2O
Properties
Complexity:
514
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.111g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
333.347g/mol
Monoisotopic Mass:
333.111g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
84.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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