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Molecule
Methyl 2-Acetamidoacrylate
CAS: 35356-70-8 · C6H9NO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 35356-70-8
- Molecular Formula
- C6H9NO3
- Molecular Mass
- 143.14 g/mol
Identifiers
CAS Registry Number
35356-70-8
SMILES
C=C(N=C(C)O)C(=O)OC
InChI Key
SMWNFFKPVLVOQQ-UHFFFAOYSA-N
InChI
InChI=1S/C6H9NO3/c1-4(6(9)10-3)7-5(2)8/h1H2,2-3H3,(H,7,8)
Names and Synonyms
- Methyl 2-Acetamidoacrylate Synonym
- 2-Propenoic acid, 2-(acetylamino)-, methyl ester Synonym
- Acrylic acid, 2-acetamido-, methyl ester Synonym
- Methyl α-acetamidoacrylate Synonym
- Methyl 2-(acetylamino)acrylate Synonym
- N-Acetyldehydroalanine methyl ester Synonym
- Methyl 2-acetylamino-2-propenoate Synonym
- N-(2-Methoxy-1-methylene-2-oxoethyl)acetamide Synonym
- N-(1-(Methoxycarbonyl)vinyl)acetamide Synonym
- 2-(Acetylamino)-2-propenoic acid methyl ester Synonym
- Methyl 2-acetamidoacrylate Synonym
- NSC 156878 Synonym
- 2-Acetylaminoacrylic acid methyl ester Synonym
- Methyl 2-(acetamido)-2-propenoate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 143.14 g/mol | CAS Common Chemistry |
| 143.14199999999997 g/mol | RDKit | |
| 143.142 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Methyl_2-acetamidoacrylate | CAS Common Chemistry |
| Canonical SMILES | O=C(OC)C(=C)NC(=O)C | CAS Common Chemistry |
| InChI | InChI=1S/C6H9NO3/c1-4(6(9)10-3)7-5(2)8/h1H2,2-3H3,(H,7,8) | CAS Common Chemistry |
| InChI Key | InChIKey=SMWNFFKPVLVOQQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 75-76 °C | CAS Common Chemistry |
| Name | Methyl 2-acetamidoacrylate | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 58.89 Ų | RDKit |
| LogP | 0.6495 | RDKit |
| Molar Refractivity | 36.8938 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3333 | RDKit |
| 0.33 | chempirical lib | |
| Exact Mass | 143.058243148 g/mol | RDKit |
| Boiling Point | 66-67 °C @ 0.3 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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140
120
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 143.14 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H9NO3.
