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
-0.4893 -0.5747 -1.5736 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1205 -0.2183 -0.5465 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5783 -0.2243 -0.5390 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2282 -0.6040 -1.6104 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2616 0.2088 0.7078 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3788 0.1723 0.5547 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0043 0.1438 0.4498 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7259 -0.9943 0.7895 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0947 -0.9542 0.6617 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7328 0.1763 0.2118 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0121 1.2961 -0.1214 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6596 1.2780 -0.0028 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6874 -0.9092 -2.4898 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3154 -0.5934 -1.5617 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2661 -0.2678 0.7322 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4215 1.3133 0.6661 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6601 -0.0176 1.6114 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1932 -1.8671 1.1402 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6460 -1.8635 0.9352 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8007 0.1473 0.1333 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4903 2.2011 -0.4789 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0476 2.1515 -0.2586 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