Monomers
Phenyl acrylate
Identifiers
IUPAC name
phenyl prop-2-enoate
InchI
InChI=1S/C9H8O2/c1-2-9(10)11-8-6-4-3-5-7-8/h2-7H,1H2
InchI Key
WRAQQYDMVSCOTE-UHFFFAOYSA-N
SMILES
C=CC(=O)Oc1ccccc1
Canonical SMILES
C=CC(=O)OC1=CC=CC=C1
Isomeric SMILES
C=CC(=O)OC1=CC=CC=C1
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C9H8O2
Heavy Atom Count
11
Molecular Weight
148.161
Exact Molecular Weight
148.0524
Valence Electrons
56
Radical Electrons
0
tPSA
26.3
MolLogP
1.778
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
19 19 0 0 0 0 0 0 0 0999 V2000
4.0096 0.4901 0.4076 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0639 0.4565 -0.5055 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6898 0.2395 -0.1014 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4169 0.0860 1.1140 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6663 0.2009 -1.0660 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6195 -0.0122 -0.5857 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4007 1.0614 -0.2362 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6672 0.8071 0.2348 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1733 -0.4767 0.3663 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3447 -1.5156 0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0676 -1.3056 -0.4767 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0387 0.6544 0.0870 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7346 0.3548 1.4326 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3020 0.5910 -1.5706 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0282 2.0994 -0.3286 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3176 1.6398 0.5227 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1769 -0.6595 0.7404 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6992 -2.5494 0.0861 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4269 -2.1618 -0.7622 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 2 0
3 5 1 0
5 6 1 0
6 7 2 0
7 8 1 0
8 9 2 0
9 10 1 0
10 11 2 0
11 6 1 0
1 12 1 0
1 13 1 0
2 14 1 0
7 15 1 0
8 16 1 0
9 17 1 0
10 18 1 0
11 19 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers