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N-Phthaloylglycine
CAS: 4702-13-0 | C10H7NO4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
4702-13-0
Molecular Formula:
C10H7NO4
Molecular Mass:
205.17 g/mol
Names and Synonyms:
N-Phthaloylglycine
2H-Isoindole-2-acetic acid, 1,3-dihydro-1,3-dioxo-
2-Isoindolineacetic acid, 1,3-dioxo-
1,3-Dihydro-1,3-dioxo-2H-isoindole-2-acetic acid
Phthalimidoacetic acid
N-Phthaloylglycine
1,3-Dioxo-2-isoindolineacetic acid
N-(Carboxymethyl)phthalimide
Phthaloylglycine
2-Phthalimidoacetic acid
(1,3-Dioxo-1,3-dihydroisoindol-2-yl)acetic acid
N-(2-Hydroxy-2-oxoethyl)phthalimide
NSC 10771
NSC 29044
(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)acetic acid
(1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl)acetic acid
Phthaloglycine
2-(1,3-Dioxoisoindolin-2-yl)acetic acid
2-Phthalimidoylacetic acid
2-(1,3-Dioxoisoindol-2-yl)acetic acid
2-(1,3-Dioxo-2,3-dihydro-1H-isoindol-2-yl)acetic acid
Identifiers:
SMILES:
O=C(O)CN1C(=O)c2ccccc2C1=O
InChI:
InChI=1S/C10H7NO4/c12-8(13)5-11-9(14)6-3-1-2-4-7(6)10(11)15/h1-4H,5H2,(H,12,13)
Key Properties
Melting Point
192 °C
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 | 205.17 g/mol | CAS Common Chemistry |
| 205.16899999999998 g/mol | RDKit | |
| 205.037507704 g/mol | RDKit | |
| Canonical SMILES | O=C(O)CN1C(=O)C=2C=CC=CC2C1=O | CAS Common Chemistry |
| InChI | InChI=1S/C10H7NO4/c12-8(13)5-11-9(14)6-3-1-2-4-7(6)10(11)15/h1-4H,5H2,(H,12,13) | CAS Common Chemistry |
| InChI Key | InChIKey=WQINSVOOIJDOLJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 192 °C | CAS Common Chemistry |
| Name | N-Phthaloylglycine | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 74.68 Ų | RDKit |
| LogP | 0.36720000000000014 | RDKit |
| Molar Refractivity | 49.444800000000015 | RDKit |
