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
-4.5735 0.1698 0.3808 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0972 0.0140 0.3691 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3224 1.0238 0.9019 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9476 0.9077 0.9053 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2986 -0.2025 0.3857 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0854 -1.2031 -0.1431 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4688 -1.1107 -0.1585 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0879 -0.2969 0.4003 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8529 0.1772 -0.6512 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1960 0.6976 -1.6159 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3004 0.1013 -0.6817 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9616 0.5729 -1.7150 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0062 -0.5101 0.4600 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9111 0.8171 -0.4579 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0948 -0.8114 0.2589 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9447 0.6523 1.3077 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8029 1.9009 1.3138 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2980 1.6838 1.3172 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5742 -2.0694 -0.5483 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0627 -1.9111 -0.5800 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4480 1.0217 -2.5535 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0484 0.5240 -1.7540 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4961 -0.3359 1.4281 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0290 -1.6208 0.3303 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0555 -0.1922 0.5609 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