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
-0.5943 0.6346 -1.5964 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1190 0.1236 -0.5738 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5624 -0.0174 -0.5358 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2771 0.3866 -1.5564 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1862 -0.6256 0.6815 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3755 -0.3060 0.5087 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0068 -0.1541 0.4352 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8407 -1.1229 -0.0831 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2071 -0.9451 -0.1433 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7023 0.2500 0.3402 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8782 1.2265 0.8609 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5157 1.0345 0.9144 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8223 0.8190 -2.4199 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3452 0.2819 -1.5276 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8740 -1.6759 0.7970 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9279 -0.0542 1.5972 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3024 -0.5223 0.5699 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3992 -2.0469 -0.4509 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8776 -1.7022 -0.5502 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7711 0.4325 0.3125 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3001 2.1679 1.2385 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8874 1.8157 1.3278 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