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20532-69-8 | Butanoic acid, 2-[2-(2-Methylphenyl)hydrazinylidene]-3-oxo-, ethyl ester
CAS No: 20532-69-8 Catalog No: AG002A0J MDL No:
Product Description
Catalog Number:
AG002A0J
Chemical Name:
Butanoic acid, 2-[2-(2-Methylphenyl)hydrazinylidene]-3-oxo-, ethyl ester
CAS Number:
20532-69-8
Molecular Formula:
C13H16N2O3
Molecular Weight:
248.2777
IUPAC Name:
ethyl 3-hydroxy-2-[(2-methylphenyl)diazenyl]but-2-enoate
InChI:
InChI=1S/C13H16N2O3/c1-4-18-13(17)12(10(3)16)15-14-11-8-6-5-7-9(11)2/h5-8,16H,4H2,1-3H3
InChI Key:
MYPBVFVLNSVXHC-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=NNc1ccccc1C)C(=O)C
Properties
Complexity:
350
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:
1
Isotope Atom Count:
0
Molecular Weight:
248.282g/mol
Monoisotopic Mass:
248.116g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
71.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.6
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