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N-(Carboxymethyl)Acridone
CAS: 38609-97-1 | C15H11NO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
38609-97-1
Molecular Formula:
C15H11NO3
Molecular Mass:
253.26 g/mol
Names and Synonyms:
N-(Carboxymethyl)Acridone
10(9H)-Acridineacetic acid, 9-oxo-
9-Oxo-10(9H)-acridineacetic acid
N-(Carboxymethyl)acridone
10-(Carboxymethyl)-9-acridinone
9-Oxo-10-acridineacetic acid
L 1
N-(Carboxymethyl)-9-acridone
Acridone-N-acetic acid
Cridanimod
10-CMA
2-(9-Oxo-9,10-dihydroacridin-10-yl)acetic acid
2-(9-Oxoacridin-10-yl)acetic acid
Identifiers:
SMILES:
O=C(O)Cn1c2ccccc2c(=O)c2ccccc21
InChI:
InChI=1S/C15H11NO3/c17-14(18)9-16-12-7-3-1-5-10(12)15(19)11-6-2-4-8-13(11)16/h1-8H,9H2,(H,17,18)
Key Properties
Melting Point
280 °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 | 253.26 g/mol | CAS Common Chemistry |
| 253.25699999999998 g/mol | RDKit | |
| 253.073893212 g/mol | RDKit | |
| Canonical SMILES | O=C(O)CN1C=2C=CC=CC2C(=O)C=3C=CC=CC31 | CAS Common Chemistry |
| InChI | InChI=1S/C15H11NO3/c17-14(18)9-16-12-7-3-1-5-10(12)15(19)11-6-2-4-8-13(11)16/h1-8H,9H2,(H,17,18) | CAS Common Chemistry |
| InChI Key | InChIKey=UOMKBIIXHQIERR-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 280 °C | CAS Common Chemistry |
| Name | N-(Carboxymethyl)acridone | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 59.3 Ų | RDKit |
| LogP | 2.2393 | RDKit |
| Molar Refractivity | 73.34980000000003 | RDKit |
