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
Resources
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
4.1677 -0.4242 0.5260 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0150 -1.0133 0.2155 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7554 -0.2863 0.2729 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6802 0.9234 0.6139 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5823 -0.9091 -0.0498 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6595 -0.3276 -0.0324 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4641 -0.3340 1.0844 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7237 0.2656 1.0738 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1899 0.8839 -0.0734 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3767 0.8841 -1.1837 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1246 0.2880 -1.1732 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2455 0.5930 0.8299 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0670 -1.0191 0.4631 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9840 -2.0476 -0.0876 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1422 -0.7999 1.9888 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3641 0.2673 1.9431 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1642 1.3510 -0.0909 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7301 1.3663 -2.0923 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5580 0.3385 -2.0921 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