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146255-36-9 | Benzoic acid, 2-(1-amino-3-ethoxy-3-oxo-1-propen-1-yl)hydrazide
CAS No: 146255-36-9 Catalog No: AG001DTK MDL No:MFCD00243953
Product Description
Catalog Number:
AG001DTK
Chemical Name:
Benzoic acid, 2-(1-amino-3-ethoxy-3-oxo-1-propen-1-yl)hydrazide
CAS Number:
146255-36-9
Molecular Formula:
C12H15N3O3
Molecular Weight:
249.2658
MDL Number:
MFCD00243953
IUPAC Name:
ethyl 3-amino-3-(2-benzoylhydrazinyl)prop-2-enoate
InChI:
InChI=1S/C12H15N3O3/c1-2-18-11(16)8-10(13)14-15-12(17)9-6-4-3-5-7-9/h3-8,14H,2,13H2,1H3,(H,15,17)
InChI Key:
SHKXNEUTLOOQKZ-UHFFFAOYSA-N
SMILES:
CCOC(=O)C=C(NNC(=O)c1ccccc1)N
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.111g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
249.27g/mol
Monoisotopic Mass:
249.111g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
93.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2
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