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
2.8385 0.1089 0.3755 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4048 0.3563 -0.0990 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2590 1.2426 -0.9351 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3484 -0.3961 0.4064 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.9936 -0.2747 0.0630 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8292 -1.1305 0.7013 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5389 0.6466 -0.8742 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9776 1.5005 -1.5580 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9434 0.5801 -1.0567 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1592 0.9423 1.0321 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8513 -0.8489 0.8921 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4338 0.1038 -0.5722 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6530 -1.1477 1.1471 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8760 -1.0713 0.4659 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3940 -1.8114 1.3996 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3953 1.1994 -1.7185 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