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5869-58-9 | Butanoic acid, 2-[2-(4-methylphenyl)diazenyl]-3-oxo-, ethyl ester
CAS No: 5869-58-9 Catalog No: AG002GOG MDL No:
Product Description
Catalog Number:
AG002GOG
Chemical Name:
Butanoic acid, 2-[2-(4-methylphenyl)diazenyl]-3-oxo-, ethyl ester
CAS Number:
5869-58-9
Molecular Formula:
C13H16N2O3
Molecular Weight:
248.2777
IUPAC Name:
ethyl 2-[(4-methylphenyl)diazenyl]-3-oxobutanoate
InChI:
InChI=1S/C13H16N2O3/c1-4-18-13(17)12(10(3)16)15-14-11-7-5-9(2)6-8-11/h5-8,12H,4H2,1-3H3
InChI Key:
BBBCJFWZAQMHLR-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(=O)C)N=Nc1ccc(cc1)C
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.116g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.282g/mol
Monoisotopic Mass:
248.116g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
68.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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