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N-Phenylmaleamic Acid
CAS: 555-59-9 | C10H9NO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
555-59-9
Molecular Formula:
C10H9NO3
Molecular Mass:
191.19 g/mol
Names and Synonyms:
N-Phenylmaleamic Acid
2-Butenoic acid, 4-oxo-4-(phenylamino)-, (2Z)-
Maleanilic acid
2-Butenoic acid, 4-oxo-4-(phenylamino)-, (Z)-
(2Z)-4-Oxo-4-(phenylamino)-2-butenoic acid
N-Phenylmaleamic acid
Maleic acid monoanilide
Maleanilinic acid
N-Phenylmaleinamic acid
Maleic acid monophenyl amide
(Z)-4-Oxo-4-(phenylamino)-2-butenoic acid
Identifiers:
SMILES:
O=C(O)/C=CC(O)=Nc1ccccc1
InChI:
InChI=1S/C10H9NO3/c12-9(6-7-10(13)14)11-8-4-2-1-3-5-8/h1-7H,(H,11,12)(H,13,14)/b7-6-
Key Properties
Melting Point
192 °C (decomp)
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 | 191.19 g/mol | CAS Common Chemistry |
| 191.18600000000004 g/mol | RDKit | |
| 191.058243148 g/mol | RDKit | |
| Canonical SMILES | O=C(O)C=CC(=O)NC=1C=CC=CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C10H9NO3/c12-9(6-7-10(13)14)11-8-4-2-1-3-5-8/h1-7H,(H,11,12)(H,13,14)/b7-6- | CAS Common Chemistry |
| InChI Key | InChIKey=WHZLCOICKHIPRL-SREVYHEPSA-N | CAS Common Chemistry |
| Melting Point | 192 °C (decomp) | CAS Common Chemistry |
| Name | N-Phenylmaleamic acid | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 69.89 Ų | RDKit |
| LogP | 1.9154 | RDKit |
| Molar Refractivity | 52.941600000000015 | RDKit |
