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
-4.6110 -0.4359 0.2430 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1577 -0.1551 0.0531 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4723 0.5227 1.0274 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1256 0.7945 0.8740 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4308 0.3999 -0.2483 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1358 -0.2808 -1.2182 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4933 -0.5571 -1.0682 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9200 0.6915 -0.3651 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9252 -0.1354 0.0769 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5951 -1.2212 0.6195 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3411 0.1773 -0.0491 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6996 1.3128 -0.6162 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4142 -0.7173 0.4288 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7688 -0.7138 1.3058 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2566 0.3740 -0.1090 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8831 -1.3491 -0.3458 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9893 0.8499 1.9278 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6246 1.3230 1.6505 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6621 -0.6137 -2.1079 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0558 -1.0946 -1.8311 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9158 1.9741 -0.9692 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7496 1.5994 -0.7374 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0420 -1.6692 0.8356 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9612 -0.1741 1.2319 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1031 -0.9017 -0.4168 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