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
-4.5664 -0.0715 -0.4509 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0724 0.0843 -0.4251 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2931 -0.2578 -1.5105 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9018 -0.1012 -1.4564 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3465 0.3991 -0.2988 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1337 0.7366 0.7766 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5196 0.5861 0.7371 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0275 0.5517 -0.2508 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8422 -0.4734 0.1989 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2824 -1.5394 0.5583 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2906 -0.3481 0.2630 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0202 -1.3579 0.7003 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9386 0.9171 -0.1648 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9668 0.8543 0.0116 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8061 -0.9679 0.1681 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9189 -0.1956 -1.5064 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7891 -0.6393 -2.3748 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2938 -0.3636 -2.2915 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6699 1.1236 1.6634 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1241 0.8585 1.5973 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5742 -2.2886 1.0174 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0963 -1.2985 0.7607 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3019 1.4936 -0.8774 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1377 1.5815 0.7154 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8908 0.7163 -0.7094 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