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14923-66-1 | Propanoic acid, 2-[2-(aminocarbonyl)hydrazinylidene]-, ethyl ester
CAS No: 14923-66-1 Catalog No: AG001LHI MDL No:
Product Description
Catalog Number:
AG001LHI
Chemical Name:
Propanoic acid, 2-[2-(aminocarbonyl)hydrazinylidene]-, ethyl ester
CAS Number:
14923-66-1
Molecular Formula:
C6H11N3O3
Molecular Weight:
173.1698
IUPAC Name:
ethyl 2-(carbamoylhydrazinylidene)propanoate
InChI:
InChI=1S/C6H11N3O3/c1-3-12-5(10)4(2)8-9-6(7)11/h3H2,1-2H3,(H3,7,9,11)
InChI Key:
HVFVGYAKDVKQEB-UHFFFAOYSA-N
SMILES:
CC(=NNC(=O)N)C(=O)OCC
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.08g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
173.172g/mol
Monoisotopic Mass:
173.08g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
93.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.1
Literature
| Title | Journal |
|---|---|
| Ethyl 2-[(carbamoyl-amino)-imino]-propano-ate hemihydrate. | Acta crystallographica. Section E, Structure reports online 20110801 |
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