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
4.0959 -0.4624 0.3627 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1458 -0.1579 -0.4866 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7621 -0.1471 -0.0478 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4526 -0.4260 1.1403 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7142 0.1678 -0.9033 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6022 0.1670 -0.4428 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4003 -0.9566 -0.4887 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6983 -0.9336 -0.0277 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2613 0.2147 0.5018 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4605 1.3369 0.5463 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1588 1.3202 0.0858 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1411 -0.4840 0.0834 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8731 -0.7078 1.3906 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4039 0.0797 -1.4966 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9939 -1.8698 -0.8953 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2847 -1.8248 -0.0803 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2904 0.2200 0.8635 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9004 2.2498 0.9645 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5379 2.2137 0.1271 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