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
-1.2109 -0.9721 0.2693 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2200 0.0823 0.0187 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5413 1.3255 0.2385 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0986 -0.2427 -0.4658 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4682 -1.4405 -0.6984 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0650 0.7309 -0.7150 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1787 -0.7522 -0.2208 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3222 -1.0278 1.3900 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8245 -1.9909 -0.0167 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5233 1.5890 0.6012 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1398 2.1667 0.0764 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0491 0.5318 -0.4774 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