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
-4.5705 0.7106 0.1489 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1341 0.3286 0.1604 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5421 -0.0526 -1.0244 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1982 -0.4169 -1.0501 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4121 -0.4137 0.0841 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0154 -0.0301 1.2651 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3542 0.3336 1.2953 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9338 -0.7756 0.0740 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9560 0.1119 -0.1356 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6657 1.3128 -0.3285 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3144 -0.3888 -0.1221 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5496 -1.6659 0.0871 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4046 0.5900 -0.3513 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1745 -0.1750 -0.1735 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9396 1.0322 1.1187 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6883 1.5049 -0.6405 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1501 -0.0602 -1.9287 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7381 -0.7145 -1.9782 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3990 -0.0265 2.1603 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8283 0.6353 2.2251 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5737 -2.0238 0.0938 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7825 -2.4015 0.2565 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3461 0.1881 0.0635 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4941 0.8356 -1.4376 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1239 1.5614 0.1378 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