| CAS Number | 147104-12-9 |
| Catalog Number | AG019XF8(AGN-PC-0394DS) |
| Chemical Name | 2-(2,6-Dioxopiperidin-1-yl)acetic acid |
| IUPAC Name | 2-(2,6-dioxopiperidin-1-yl)acetic acid |
| InChI | InChI=1S/C7H9NO4/c9-5-2-1-3-6(10)8(5)4-7(11)12/h1-4H2,(H,11,12) |
| InChI Key | NQSJKTIGAIAJHV-UHFFFAOYSA-N |
| MDL Number | MFCD10007769 |
| Molecular Formula | C7H9NO4 |
| Molecular Weight | 171.1507 |
| SMILES | OC(CN1C(=O)CCCC1=O)=O |
| Synonyms | 2-(2,6-dioxopiperidin-1-yl)acetic acid,
147104-12-9,
(2,6-dioxopiperidin-1-yl)acetic acid,
AC1Q75SP,
SCHEMBL4600179,
CTK7J4837,
NQSJKTIGAIAJHV-UHFFFAOYSA-N,
ZINC19942686,
AKOS002675948,
MCULE-8976426807,
NE61110,
EN300-54837,
|
| Complexity | 220 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 171.053g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 171.152g/mol |
| Monoisotopic Mass | 171.053g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 74.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number