| CAS Number | 591-86-6 |
| Catalog Number | AG003NMC(AGN-PC-0JO3C2) |
| Chemical Name | Acetaldehyde Semicarbazone |
| IUPAC Name | (ethylideneamino)urea |
| InChI | InChI=1S/C3H7N3O/c1-2-5-6-3(4)7/h2H,1H3,(H3,4,6,7) |
| InChI Key | IUNNCDSJWDQYPW-UHFFFAOYSA-N |
| MDL Number | MFCD00059191 |
| Molecular Formula | C3H7N3O |
| Molecular Weight | 101.1072 |
| SMILES | C/C=N/NC(N)=O |
| Synonyms | Acetaldehyde semicarbazone,
591-86-6,
2-Ethylidenehydrazinecarboxamide,
[(E)-ethylideneamino]urea,
(ethylideneamino)urea,
Acetaldehydesemicarbazone,
AC1L6QZX,
ACMC-1AWJ7,
CTK5A9555,
ANW-33188,
ZINC255003999,
VZ31175,
DB-053335,
FT-0632458,
CID271884,
NSC115871,
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| Complexity | 88.2 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 101.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 7 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 101.109g/mol |
| Monoisotopic Mass | 101.059g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 67.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | -1.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number