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
3.8832 -0.1058 0.1174 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0997 -0.3274 1.1567 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6564 -0.2741 1.0899 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9484 -0.4906 2.0986 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9595 0.0182 -0.0870 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4458 0.0591 -0.1053 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0728 1.2550 0.1603 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4603 1.3715 0.1599 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1865 0.2276 -0.1204 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5528 -0.9715 -0.3867 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1791 -1.0735 -0.3831 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3861 0.1281 -0.8311 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9428 -0.1454 0.1684 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5552 -0.5608 2.1075 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4859 2.1516 0.3804 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9619 2.3071 0.3675 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2829 0.2602 -0.1346 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1513 -1.8357 -0.5994 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6519 -1.9936 -0.5867 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