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
4.0443 -0.2559 0.7522 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0879 -0.6069 -0.0865 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6973 -0.2336 0.1504 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4082 0.4349 1.1734 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6725 -0.5847 -0.7071 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6183 -0.1700 -0.3750 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1278 1.0355 -0.8018 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4103 1.3855 -0.4386 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1699 0.5387 0.3410 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6501 -0.6736 0.7670 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3746 -1.0166 0.4030 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7588 0.3182 1.6206 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0661 -0.5374 0.5663 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3423 -1.1864 -0.9721 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5030 1.6865 -1.4187 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8001 2.3379 -0.7812 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1803 0.8299 0.6189 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2638 -1.3309 1.3825 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9791 -1.9710 0.7443 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