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
4.1883 -0.3995 0.1111 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1318 0.1335 -0.4595 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7759 -0.0573 0.0271 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5826 -0.7791 1.0640 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6666 0.4933 -0.5596 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6295 0.3076 -0.0900 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2095 1.1609 0.8439 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4760 1.0064 1.3235 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2359 -0.0324 0.8802 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7058 -0.9192 -0.0559 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4207 -0.7375 -0.5234 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0569 -1.0135 0.9879 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1861 -0.2475 -0.2629 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2698 0.7448 -1.3335 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6137 1.9874 1.2007 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9206 1.6832 2.0570 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2371 -0.1573 1.2573 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3545 -1.7221 -0.3695 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0546 -1.4518 -1.2487 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