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
4.0018 0.0520 1.1290 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1590 0.4008 0.1750 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7289 0.0844 0.2702 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2491 -0.5279 1.2575 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8307 0.4447 -0.7250 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5226 0.1408 -0.6264 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3290 1.0816 -0.0117 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6823 0.8540 0.1248 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2794 -0.2977 -0.3360 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4568 -1.2319 -0.9504 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0881 -1.0094 -1.0922 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0552 0.2775 1.0731 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6800 -0.4832 2.0262 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5567 0.9264 -0.6775 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9416 2.0136 0.3789 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2971 1.6153 0.6152 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3318 -0.4347 -0.2101 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8862 -2.1605 -1.3315 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4466 -1.7458 -1.5752 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