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
-0.3255 -1.6919 -0.3504 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9725 -0.6404 -0.5427 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3146 -0.6448 -1.1491 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8397 -1.8068 -1.4966 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0383 0.6338 -1.3545 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3577 0.5402 -0.1529 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8917 0.5176 0.4091 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0631 0.6042 -0.3191 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2892 0.5754 0.3100 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3641 0.4592 1.6814 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2028 0.3718 2.4220 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9818 0.4017 1.7813 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3033 -2.7317 -1.3422 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8234 -1.8849 -1.9482 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9810 0.9826 -2.4145 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1034 0.5007 -1.0539 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5668 1.4284 -0.7298 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9676 0.6954 -1.4041 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1964 0.6455 -0.2896 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3370 0.4355 2.1908 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2532 0.2790 3.5157 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0794 0.3294 2.4081 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