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
-0.7382 1.2111 1.2618 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1930 0.4165 0.4212 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6104 0.2860 0.1549 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0569 -0.5697 -0.7462 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6126 1.1067 0.8828 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2894 -0.3677 -0.2795 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0651 -0.3428 -0.1253 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6307 -1.1905 0.8050 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9957 -1.2174 1.0128 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8268 -0.4064 0.3045 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2766 0.4457 -0.6282 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9136 0.4750 -0.8382 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0972 -0.7032 -0.9794 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3559 -1.1741 -1.2857 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2966 1.1775 1.9451 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6242 0.7037 0.8194 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6304 2.1175 0.4189 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0328 -1.8602 1.4016 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4068 -1.8939 1.7499 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8854 -0.4478 0.4864 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9631 1.0794 -1.1767 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5081 1.1547 -1.5777 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