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Maleamic Acid
CAS: 557-24-4 | C4H5NO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
557-24-4
Molecular Formula:
C4H5NO3
Molecular Mass:
115.09 g/mol
Names and Synonyms:
Maleamic Acid
2-Butenoic acid, 4-amino-4-oxo-, (2Z)-
Maleamic acid
2-Butenoic acid, 4-amino-4-oxo-, (Z)-
(2Z)-4-Amino-4-oxo-2-butenoic acid
Maleic acid monoamide
Maleic monoamide
Maleamate
Identifiers:
SMILES:
N=C(O)/C=CC(=O)O
InChI:
InChI=1S/C4H5NO3/c5-3(6)1-2-4(7)8/h1-2H,(H2,5,6)(H,7,8)/b2-1-
Key Properties
Melting Point
172.5 °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 | 115.09 g/mol | CAS Common Chemistry |
| 115.08799999999998 g/mol | RDKit | |
| 115.02694302 g/mol | RDKit | |
| Canonical SMILES | O=C(O)C=CC(=O)N | CAS Common Chemistry |
| InChI | InChI=1S/C4H5NO3/c5-3(6)1-2-4(7)8/h1-2H,(H2,5,6)(H,7,8)/b2-1- | CAS Common Chemistry |
| InChI Key | InChIKey=FSQQTNAZHBEJLS-UPHRSURJSA-N | CAS Common Chemistry |
| Melting Point | 172.5 °C | CAS Common Chemistry |
| Name | Maleamic acid | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 81.38 Ų | RDKit |
| LogP | 0.16247 | RDKit |
| Molar Refractivity | 27.131299999999996 | RDKit |
