Monomers
Methacrylic acid
Identifiers
IUPAC name
2-methylprop-2-enoic acid
InchI
InChI=1S/C4H6O2/c1-3(2)4(5)6/h1H2,2H3,(H,5,6)
InchI Key
CERQOIWHTDAKMF-UHFFFAOYSA-N
SMILES
CC(=C)C(=O)O
Canonical SMILES
CC(=C)C(=O)O
Isomeric SMILES
CC(=C)C(=O)O
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C4H6O2
Heavy Atom Count
6
Molecular Weight
86.09
Exact Molecular Weight
86.0368
Valence Electrons
34
Radical Electrons
0
tPSA
37.3
MolLogP
0.6471
H Bond Acceptors
1
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
12 11 0 0 0 0 0 0 0 0999 V2000
-1.1655 -0.8606 -0.6687 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2057 0.1010 -0.0379 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6051 1.2672 0.4137 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1998 -0.2465 0.0855 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5535 -1.3684 -0.3551 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0927 0.6392 0.6683 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6385 -1.6728 -1.1553 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8043 -0.3317 -1.3974 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8116 -1.2746 0.1162 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6341 1.5895 0.3543 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0976 1.9447 0.8635 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9212 0.2130 1.1129 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 3
2 4 1 0
4 5 2 0
4 6 1 0
1 7 1 0
1 8 1 0
1 9 1 0
3 10 1 0
3 11 1 0
6 12 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers