| SKU | Size | Availability | Price |
|---|---|---|---|
| No options of this product are available. | |||
| Synonyms | AS-40528 | MFCD00077684 | SY290267 | 4-(2-Carboxyethyl)-4-nitroheptanedioic acid | 4-(2-carboxyethyl)-4-nitro-heptanedioic Acid | AKOS003407102 | FT-0616517 | JCMYUFMDOYGRKD-UHFFFAOYSA-N | [3-(2-carboxyethyl)]-3-nitropentane-1,5-dicarboxylic acid | AC-132 |
|---|---|
| Specifications & Purity | ≥97% |
| IUPAC Name | 4-(2-carboxyethyl)-4-nitroheptanedioic acid |
|---|---|
| INCHI | InChI=1S/C10H15NO8/c12-7(13)1-4-10(11(18)19,5-2-8(14)15)6-3-9(16)17/h1-6H2,(H,12,13)(H,14,15)(H,16,17) |
| InChi Key | JCMYUFMDOYGRKD-UHFFFAOYSA-N |
| Canonical SMILES | C(CC(CCC(=O)O)(CCC(=O)O)[N+](=O)[O-])C(=O)O |
| Isomeric SMILES | C(CC(CCC(=O)O)(CCC(=O)O)[N+](=O)[O-])C(=O)O |
| Molecular Weight | 277.22 |
| Reaxy-Rn | 1804764 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1804764&ln= |
| Molecular Weight | 277.230 g/mol |
|---|---|
| XLogP3 | -0.600 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 9 |
| Exact Mass | 277.08 Da |
| Monoisotopic Mass | 277.08 Da |
| Topological Polar Surface Area | 158.000 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 327.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
| Pictogram(s) | GHS07 |
|---|---|
| Signal | Warning |
| Hazard Statements | H315:Causes skin irritation H319:Causes serious eye irritation H335:May cause respiratory irritation |
| Precautionary Statements | P261:Avoid breathing dust/fume/gas/mist/vapors/spray. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present and easy to do - continue rinsing. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of water. P321:Specific treatment (see ... on this label). P405:Store locked up. P501:Dispose of contents/container to ... P264:Wash hands [and …] thoroughly after handling. P271:Use only outdoors or in a well-ventilated area. P304+P340:IF INHALED: Remove person to fresh air and keep comfortable for breathing. P403+P233:Store in a well-ventilated place. Keep container tightly closed. P362+P364:Take off contaminated clothing and wash it before reuse. P264+P265:Wash hands [and …] thoroughly after handling. Do not touch eyes. P337+P317:If eye irritation persists: Get medical help. P332+P317:If skin irritation occurs: Get medical help. P319:Get medical help if you feel unwell. |
| Reaxy-Rn | 1804764 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1804764&ln= |
| Purity(HPLC area) | 97-100（%） |
|---|---|
| NMR Spectrum 1H | Conforms to structure |
| LC-MS for identification | Conforms |
