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
-0.7545 -0.6019 -1.3641 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2252 -0.1107 -0.3085 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6459 0.0779 -0.0791 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0310 0.6012 1.0618 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6134 -0.3182 -1.1213 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2809 0.2533 0.6567 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0808 0.0870 0.4698 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7794 1.1269 -0.1052 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1593 1.0283 -0.3244 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8281 -0.1167 0.0366 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1518 -1.1658 0.6114 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7947 -1.0361 0.8130 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0848 0.7441 1.2389 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3548 0.9015 1.8438 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0381 -1.3413 -0.9504 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4357 0.4518 -1.1920 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1653 -0.3420 -2.1382 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3216 2.0565 -0.4144 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6880 1.8523 -0.7754 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8934 -0.2169 -0.1223 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6899 -2.0814 0.8994 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2425 -1.8497 1.2640 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