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
4.0787 -0.4000 0.4233 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9643 -1.0838 0.4957 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7037 -0.4330 0.1846 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6268 0.7696 -0.1553 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4767 -1.0575 0.2289 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6701 -0.4154 -0.0679 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2788 -0.2961 -1.2712 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4558 0.3863 -1.4655 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0759 0.9938 -0.3972 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4984 0.9029 0.8488 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3174 0.2112 1.0109 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0735 0.6355 0.1369 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0185 -0.8727 0.6517 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9689 -2.1187 0.7818 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8094 -0.7646 -2.1200 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8855 0.4406 -2.4560 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0187 1.5456 -0.5292 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0019 1.3892 1.6830 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8992 0.1672 2.0169 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