| CAS Number | 132178-37-1 |
| Catalog Number | AG0010CH(AGN-PC-0BS2BF) |
| Chemical Name | 4-Pentynoic acid, 2,5-dioxo-1-pyrrolidinyl ester |
| IUPAC Name | (2,5-dioxopyrrolidin-1-yl) pent-4-ynoate |
| InChI | InChI=1S/C9H9NO4/c1-2-3-4-9(13)14-10-7(11)5-6-8(10)12/h1H,3-6H2 |
| InChI Key | VLQOCPXVAZTWQR-UHFFFAOYSA-N |
| MDL Number | MFCD22577791 |
| Molecular Formula | C9H9NO4 |
| Molecular Weight | 195.1721 |
| SMILES | C#CCCC(ON1C(CCC1=O)=O)=O |
| Synonyms | 4-pentynoic acid succinimidyl ester,
132178-37-1,
2,5-Dioxopyrrolidin-1-yl pent-4-ynoate,
n-(4-pentynoyloxy)succinimide,
SCHEMBL138410,
VLQOCPXVAZTWQR-UHFFFAOYSA-N,
5353AJ,
AKOS027257124,
ZINC101715734,
4-Pentynoic acid, 2,5-dioxo-1-pyrrolidinyl ester,
Pent-4-ynoic acid 2,5-dioxo-pyrrolidin-1-yl ester,
C9H9NO4,
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| Complexity | 309 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 195.053g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 195.174g/mol |
| Monoisotopic Mass | 195.053g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 63.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number