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
-0.5603 1.2339 0.3050 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3076 -0.1928 0.0086 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3267 -1.0246 -0.0854 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0739 -0.5969 -0.1638 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3960 -1.8027 -0.4216 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1228 0.3007 -0.0590 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3166 1.2750 1.1126 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3319 1.7640 0.6741 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8793 1.7237 -0.6205 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3333 -0.6694 0.0522 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2126 -2.0776 -0.2993 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0116 0.0667 -0.5028 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