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
-0.2042 1.0841 1.5253 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0087 0.5804 0.6999 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4586 0.7936 0.8081 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9740 1.5200 1.7728 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3662 0.1790 -0.1892 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4567 -0.1857 -0.3165 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9317 -0.3681 -0.3893 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7676 0.4526 -1.0744 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1343 0.1641 -1.0711 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6412 -0.9263 -0.3921 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7848 -1.7555 0.3019 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4351 -1.4538 0.2869 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3488 1.9867 2.5216 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0372 1.6815 1.8596 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3434 0.6778 -0.2428 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8703 0.3289 -1.1930 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4368 -0.9178 -0.0687 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3789 1.2951 -1.5995 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8247 0.7933 -1.6033 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6945 -1.1708 -0.3742 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1317 -2.6337 0.8575 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7804 -2.1252 0.8432 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