| CAS Number | 2126899-84-9 |
| Catalog Number | AG00IMCI(AGN-PC-0WQUJA) |
| Chemical Name | O=C(O)/C=C/CN.[H]Cl |
| IUPAC Name | (E)-4-aminobut-2-enoic acid;hydrochloride |
| InChI | InChI=1S/C4H7NO2.ClH/c5-3-1-2-4(6)7;/h1-2H,3,5H2,(H,6,7);1H/b2-1+; |
| InChI Key | ASNDYIQICTUCOY-TYYBGVCCSA-N |
| MDL Number | MFCD12923255 |
| Molecular Formula | C4H8ClNO2 |
| Molecular Weight | 137.5648 |
| SMILES | O=C(O)/C=C/CN.[H]Cl |
| Synonyms | 4-Aminocrotonic Acid Hydrochloride,
4-aminobut-2-enoic acid hydrochloride,
129564-38-1,
2126899-84-9,
NE42193,
trans-4-Amino-2-butenoic Acid Hydrochloride,
A3011,
|
| Complexity | 87.7 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 137.024g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 137.563g/mol |
| Monoisotopic Mass | 137.024g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 63.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number