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
-4.5046 -0.5144 0.4613 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0301 -0.2295 0.4855 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2422 -1.1698 1.1065 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8832 -0.9999 1.1805 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3203 0.1064 0.6347 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1258 1.0558 0.0065 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4922 0.8889 -0.0701 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0365 0.3876 0.6464 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8048 -0.0686 -0.4053 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2196 -0.7120 -1.3083 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2481 0.1769 -0.4849 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9539 -0.2659 -1.4919 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9138 0.9433 0.6016 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6348 -1.3305 -0.2820 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7673 -0.8841 1.4603 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0862 0.3854 0.1752 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6850 -2.0637 1.5490 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2655 -1.7264 1.6613 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6901 1.9523 -0.4383 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1422 1.6170 -0.5558 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0169 -0.0908 -1.5604 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4951 -0.8250 -2.2939 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8581 0.4406 0.8843 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0656 1.9933 0.2658 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2574 0.9329 1.4990 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