Monomers
2-Acetamidoacrylic acid
Identifiers
IUPAC name
2-acetamidoprop-2-enoic acid
InchI
InChI=1S/C5H7NO3/c1-3(5(8)9)6-4(2)7/h1H2,2H3,(H,6,7)(H,8,9)
InchI Key
UFDFFEMHDKXMBG-UHFFFAOYSA-N
SMILES
CC(=O)NC(=C)C(=O)O
Canonical SMILES
CC(=O)NC(=C)C(=O)O
Isomeric SMILES
CC(=O)NC(=C)C(=O)O
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C5H7NO3
Heavy Atom Count
9
Molecular Weight
129.115
Exact Molecular Weight
129.0426
Valence Electrons
50
Radical Electrons
0
tPSA
66.4
MolLogP
-0.2792
H Bond Acceptors
2
H Bond Donors
2
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
16 15 0 0 0 0 0 0 0 0999 V2000
2.7017 -0.1032 0.7009 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2304 -0.3258 0.9820 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8933 -0.8555 2.0674 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3100 0.0793 -0.0033 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.0933 -0.0647 0.1191 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7037 -0.5776 1.1328 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8928 0.4264 -1.0336 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1358 0.3082 -0.9451 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2585 0.9724 -2.1147 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0559 -0.9206 0.0445 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8546 0.8459 0.1621 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2384 -0.0469 1.6567 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7332 0.5185 -0.8844 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2714 -0.9663 2.0186 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8088 -0.6364 1.1126 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8532 1.3462 -2.8650 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 0
2 4 1 0
4 5 1 0
5 6 2 3
5 7 1 0
7 8 2 0
7 9 1 0
1 10 1 0
1 11 1 0
1 12 1 0
4 13 1 0
6 14 1 0
6 15 1 0
9 16 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers