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
-0.7811 0.1535 -1.7458 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2377 0.0263 -0.5803 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6633 -0.0003 -0.3018 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5100 0.1101 -1.2807 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1608 -0.1514 1.0805 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2816 -0.0887 0.4369 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0724 -0.0671 0.2064 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7275 1.1439 0.2278 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0998 1.2404 0.0025 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7847 0.0758 -0.2443 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1138 -1.1311 -0.2626 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7406 -1.2170 -0.0359 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1834 0.2209 -2.2941 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5601 0.0916 -1.0856 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4034 0.8381 1.5571 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0379 -0.8415 1.1371 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3655 -0.5903 1.7500 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2107 2.0920 0.4217 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6125 2.2003 0.0206 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8491 0.1332 -0.4210 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6711 -2.0438 -0.4595 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3025 -2.1949 -0.0689 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