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
-0.9649 -0.6484 -1.0947 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2091 -0.0751 -0.0109 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5504 0.1209 0.4474 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7966 0.7197 1.5789 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6729 -0.3637 -0.3761 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1542 0.3771 0.7568 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1366 0.1945 0.3269 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7488 1.1354 -0.4453 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0493 0.9407 -0.8726 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7061 -0.2297 -0.4956 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1040 -1.1985 0.2877 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8058 -0.9427 0.6804 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7898 0.8804 1.9472 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9669 1.0695 2.1717 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3250 -0.6459 -1.4035 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0982 -1.2889 0.0953 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4742 0.4054 -0.4319 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2697 2.0680 -0.7638 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5327 1.6897 -1.4856 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7345 -0.3954 -0.8270 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5907 -2.1141 0.5938 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3242 -1.6991 1.2967 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