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
4.5326 -0.3376 -0.3409 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0757 -0.0816 -0.2091 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4164 -0.4043 0.9431 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0664 -0.1651 1.0604 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3469 0.4075 0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0386 0.7256 -1.1440 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3857 0.4785 -1.2399 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0096 0.6313 0.1729 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8906 -0.3695 -0.1957 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4191 -1.4391 -0.6593 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3225 -0.1789 -0.0467 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1644 -1.1347 -0.3987 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8068 1.1075 0.5069 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0415 0.0775 0.5671 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7003 -1.4227 -0.3500 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9368 0.1758 -1.2252 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9630 -0.8524 1.7708 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5262 -0.4175 1.9747 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4705 1.1706 -1.9526 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9123 0.7365 -2.1609 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8328 -2.0766 -0.8029 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2218 -0.9590 -0.2743 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7822 0.9484 1.0387 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0666 1.5111 1.2564 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8964 1.8684 -0.2979 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