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
4.5968 -0.1585 0.3873 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1284 0.0263 0.1142 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5123 -0.5024 -0.9894 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1589 -0.3349 -1.2459 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4153 0.3954 -0.3454 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0073 0.9475 0.7872 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3669 0.7544 1.0041 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9252 0.5851 -0.5604 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9050 -0.2753 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5350 -1.2732 0.5668 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3094 -0.0042 -0.3590 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6749 1.0553 -1.0525 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3592 -0.9260 0.1469 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1434 0.7897 0.2101 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0098 -0.9185 -0.3074 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7397 -0.5566 1.4143 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1281 -1.0716 -1.6773 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7100 -0.7786 -2.1456 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4310 1.5224 1.4995 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7869 1.2000 1.8956 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9027 1.7149 -1.4131 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6976 1.2920 -1.2745 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3568 -0.5813 -0.1329 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2362 -0.9362 1.2704 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2328 -1.9656 -0.2491 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