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
-4.5888 -0.0868 -0.3525 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1237 0.0424 -0.1593 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4077 0.8913 -0.9851 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0454 1.0152 -0.8098 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3515 0.3263 0.1600 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0652 -0.5195 0.9826 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4488 -0.6597 0.8214 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0143 0.4195 0.3720 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9542 -0.3683 -0.2260 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5630 -1.2509 -1.0340 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3868 -0.2629 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2653 -1.0368 -0.5887 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8575 0.7733 0.9526 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9459 -1.0647 0.0623 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1203 0.7190 0.2268 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8931 0.0016 -1.4152 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9408 1.4426 -1.7559 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4808 1.6765 -1.4514 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5624 -1.0767 1.7533 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0391 -1.3097 1.4437 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9116 -1.7911 -1.2811 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3177 -0.9823 -0.4405 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1646 0.7144 1.8387 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8619 0.5915 1.3446 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7165 1.7960 0.5388 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