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
-0.8177 -0.1552 -1.6499 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1766 -0.2759 -0.4511 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5813 -0.5726 -0.1394 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9308 -0.6937 1.1159 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5678 -0.7275 -1.2520 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2393 -0.1256 0.5296 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0897 0.1508 0.3402 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0466 -0.8310 0.1915 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3519 -0.4339 0.0068 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7254 0.8929 -0.0335 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7625 1.8698 0.1160 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4649 1.4922 0.2998 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9507 -0.9097 1.3565 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2039 -0.5775 1.8866 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0238 -0.9060 -2.2031 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1690 0.1840 -1.3891 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2141 -1.6210 -1.0453 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7613 -1.8921 0.2218 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1182 -1.2111 -0.1121 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7838 1.1646 -0.1838 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0704 2.9202 0.0823 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7004 2.2584 0.4184 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