Back to Search
Acetic Acid N-Hydroxysuccinimide Ester
CAS: 14464-29-0 | C6H7NO4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
14464-29-0
Molecular Formula:
C6H7NO4
Molecular Mass:
157.12 g/mol
Names and Synonyms:
Acetic Acid N-Hydroxysuccinimide Ester
O-Acetyl-N,N-succinyl hydroxylamine
Acetic acid N-hydroxysuccinimide ester
N-Hydroxysuccinimidyl acetate
Ac-OSu
(2,5-Dioxopyrrolidin-1-yl) acetate
2,5-Pyrrolidinedione, 1-(acetyloxy)-
Succinimide, N-acetoxy-
1-(Acetyloxy)-2,5-pyrrolidinedione
N-Acetoxysuccinimide
N-Hydroxysuccinimide acetate
Identifiers:
SMILES:
CC(=O)ON1C(=O)CCC1=O
InChI:
InChI=1S/C6H7NO4/c1-4(8)11-7-5(9)2-3-6(7)10/h2-3H2,1H3
Key Properties
Melting Point
131-132 °C @ Solvent: Hexane, Benzene
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 157.12 g/mol | CAS Common Chemistry |
| 157.12499999999997 g/mol | RDKit | |
| 157.037507704 g/mol | RDKit | |
| Canonical SMILES | O=C(ON1C(=O)CCC1=O)C | CAS Common Chemistry |
| InChI | InChI=1S/C6H7NO4/c1-4(8)11-7-5(9)2-3-6(7)10/h2-3H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=SIFCHNIAAPMMKG-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 131-132 °C @ Solvent: Hexane, Benzene | CAS Common Chemistry |
| Name | Acetic acid N-hydroxysuccinimide ester | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 63.68 Ų | RDKit |
| LogP | -0.38650000000000007 | RDKit |
| Molar Refractivity | 32.852999999999994 | RDKit |
