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
-4.5094 0.8303 0.6759 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0994 0.4997 0.3389 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3687 1.2125 -0.5842 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0559 0.8711 -0.8694 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4212 -0.1877 -0.2508 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1539 -0.9019 0.6744 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4763 -0.5604 0.9638 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8970 -0.5305 -0.5373 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9690 -0.0149 0.1353 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7335 0.8157 1.0637 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3568 -0.3443 -0.1305 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3739 0.1636 0.5290 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6383 -1.3129 -1.2126 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5876 1.3398 1.6656 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0521 -0.1269 0.7589 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9289 1.5225 -0.0717 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8369 2.0466 -1.0854 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4572 1.4241 -1.5996 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6864 -1.7448 1.1834 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0285 -1.1403 1.6963 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2333 0.8847 1.3401 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3896 -0.1065 0.3014 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8423 -2.0785 -1.1837 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6232 -1.8136 -1.1007 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6051 -0.7475 -2.1719 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