Monomers
p-Tolyl methacrylate
Identifiers
IUPAC name
(4-methylphenyl) 2-methylprop-2-enoate
InchI
InChI=1S/C11H12O2/c1-8(2)11(12)13-10-6-4-9(3)5-7-10/h4-7H,1H2,2-3H3
InchI Key
AOUAMFARIYTDLK-UHFFFAOYSA-N
SMILES
Cc1ccc(cc1)OC(=O)C(=C)C
Canonical SMILES
CC1=CC=C(C=C1)OC(=O)C(=C)C
Isomeric SMILES
CC1=CC=C(C=C1)OC(=O)C(=C)C
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C11H12O2
Heavy Atom Count
13
Molecular Weight
176.215
Exact Molecular Weight
176.0837
Valence Electrons
68
Radical Electrons
0
tPSA
26.3
MolLogP
2.4765
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1
MOL File
RDKit 3D
25 25 0 0 0 0 0 0 0 0999 V2000
4.5602 -0.6698 -0.0977 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0903 -0.6245 -0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4800 -0.0716 1.0875 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1016 -0.0577 1.1049 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3186 -0.5698 0.0707 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9567 -1.1093 -1.0077 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3320 -1.1370 -1.0530 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0304 -0.4836 0.2334 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8467 0.5419 -0.1525 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2912 1.4933 -0.7105 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2587 0.5325 0.0673 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8678 -0.4739 0.6608 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0867 1.6784 -0.3766 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9108 -1.2649 -0.9553 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9289 -1.1144 0.8482 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9322 0.3568 -0.1970 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0707 0.3325 1.9034 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6287 0.3852 1.9907 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3437 -1.4987 -1.7943 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8101 -1.5616 -1.9020 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2665 -1.3117 0.9860 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9508 -0.4819 0.8298 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9417 1.8821 0.3050 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4570 1.4383 -1.3934 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4669 2.6041 -0.4294 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 0
3 4 1 0
4 5 2 0
5 6 1 0
6 7 2 0
5 8 1 0
8 9 1 0
9 10 2 0
9 11 1 0
11 12 2 3
11 13 1 0
7 2 1 0
1 14 1 0
1 15 1 0
1 16 1 0
3 17 1 0
4 18 1 0
6 19 1 0
7 20 1 0
12 21 1 0
12 22 1 0
13 23 1 0
13 24 1 0
13 25 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers