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
1.0111 -2.6836 -0.1690 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1271 -1.4774 -0.0618 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0978 -1.6765 -0.1296 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6224 -0.1842 0.1059 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.0512 1.0325 0.2220 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7305 2.1197 0.3763 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4678 1.2272 0.1927 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3699 0.3652 0.0600 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9306 2.5734 0.3315 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0584 -2.3787 -0.3247 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5997 -3.3008 -0.9971 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9701 -3.3083 0.7420 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7072 -0.1477 0.1497 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2158 3.0612 0.4664 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8118 2.0549 0.4083 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9369 2.7231 0.3153 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