| CAS Number | 178948-42-0 |
| Catalog Number | AG00AP0N(AGN-PC-0QBFTM) |
| Chemical Name | PROLI NONOate |
| IUPAC Name | disodium;(2S)-1-[(Z)-oxido(oxidoimino)azaniumyl]pyrrolidine-2-carboxylate |
| InChI | InChI=1S/C5H9N3O4.2Na/c9-5(10)4-2-1-3-7(4)8(12)6-11;;/h4,11H,1-3H2,(H,9,10);;/q;2*+1/p-2/b8-6-;;/t4-;;/m0../s1 |
| InChI Key | BWIOFDWWAQUTIZ-SUPBRFLVSA-L |
| MDL Number | MFCD05865277 |
| Molecular Formula | C5H7N3Na2O4 |
| Molecular Weight | 219.1063 |
| SMILES | [O-][N+](N1[C@H](C([O-])=O)CCC1)=N[O-].[Na+].[Na+] |
| Synonyms | PROLI NONOate,
AC1NWBIR,
HgOBQfDtK[CPcPBXdnF]z~pCJZJIRrkUUSTUhf@,
SCHEMBL6033416,
LS-118952,
disodium (2S)-1-[nitroso(oxido)amino]pyrrolidine-2-carboxylate,
178948-42-0,
CID5702549,
|
| Complexity | 211 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 219.023g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.108g/mol |
| Monoisotopic Mass | 219.023g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 108A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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