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7497-67-8 | Benzenebutanoicacid, g-[2-(aminocarbonyl)hydrazinylidene]-,ethyl ester
CAS No: 7497-67-8 Catalog No: AG0057ID MDL No:
Product Description
Catalog Number:
AG0057ID
Chemical Name:
Benzenebutanoicacid, g-[2-(aminocarbonyl)hydrazinylidene]-,ethyl ester
CAS Number:
7497-67-8
Molecular Formula:
C13H17N3O3
Molecular Weight:
263.2924
IUPAC Name:
ethyl 4-(carbamoylhydrazinylidene)-4-phenylbutanoate
InChI:
InChI=1S/C13H17N3O3/c1-2-19-12(17)9-8-11(15-16-13(14)18)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H3,14,16,18)
InChI Key:
IVEPTQXZYBJWCG-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC/C(=N/NC(=O)N)/c1ccccc1
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.127g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
263.297g/mol
Monoisotopic Mass:
263.127g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
93.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.9
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