Monomers
Phenyl methacrylate
Identifiers
IUPAC name
phenyl 2-methylprop-2-enoate
InchI
InChI=1S/C10H10O2/c1-8(2)10(11)12-9-6-4-3-5-7-9/h3-7H,1H2,2H3
InchI Key
QIWKUEJZZCOPFV-UHFFFAOYSA-N
SMILES
O=C(C(=C)C)Oc1ccccc1
Canonical SMILES
CC(=C)C(=O)OC1=CC=CC=C1
Isomeric SMILES
CC(=C)C(=O)OC1=CC=CC=C1
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C10H10O2
Heavy Atom Count
12
Molecular Weight
162.188
Exact Molecular Weight
162.0681
Valence Electrons
62
Radical Electrons
0
tPSA
26.3
MolLogP
2.1681
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
22 22 0 0 0 0 0 0 0 0999 V2000
-0.7562 1.0688 -0.7722 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1609 0.1999 0.0456 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5871 0.0785 0.3423 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0106 -0.8314 1.1988 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5362 0.9940 -0.3361 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2230 -0.6463 0.6647 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1105 -0.4460 0.3110 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8368 0.4461 1.0621 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1549 0.6381 0.7053 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7434 -0.0219 -0.3528 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9612 -0.9119 -1.0764 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6447 -1.1359 -0.7589 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2927 -1.4826 1.6757 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0394 -0.9723 1.4597 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4858 0.8058 -1.4271 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5430 0.9585 0.0806 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1624 2.0455 -0.1939 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4020 0.9893 1.9108 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7275 1.3401 1.2959 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7799 0.1677 -0.5868 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3913 -1.4457 -1.9116 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0451 -1.8385 -1.3381 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
3 4 2 3
3 5 1 0
2 6 1 0
6 7 1 0
7 8 2 0
8 9 1 0
9 10 2 0
10 11 1 0
11 12 2 0
12 7 1 0
4 13 1 0
4 14 1 0
5 15 1 0
5 16 1 0
5 17 1 0
8 18 1 0
9 19 1 0
10 20 1 0
11 21 1 0
12 22 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers