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
4.5048 -0.1328 0.2688 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0314 0.0397 0.3086 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3004 -0.6012 1.2834 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9298 -0.4214 1.2948 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3411 0.3752 0.3538 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0437 1.0180 -0.6185 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4217 0.8389 -0.6321 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0476 0.5199 0.4147 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8238 -0.3722 -0.2867 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2774 -1.2761 -0.9507 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2606 -0.2810 -0.2679 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9728 -1.1491 -0.9489 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8762 0.8102 0.5352 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0184 0.8216 0.4932 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8219 -0.9044 0.9966 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7419 -0.4609 -0.7843 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7853 -1.2411 2.0371 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3559 -0.9136 2.0458 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5267 1.6392 -1.3418 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9919 1.3404 -1.3947 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4896 -1.9121 -1.5087 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0371 -1.0781 -0.9324 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6405 1.7633 -0.0205 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9561 0.7292 0.6346 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4332 0.8484 1.5479 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