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
3.7493 0.5467 0.2021 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2071 -0.4809 -0.4202 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7771 -0.7136 -0.4741 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2107 -1.6653 -1.0463 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9203 0.1622 0.1441 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4285 0.1012 0.1948 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1948 -0.5208 1.1384 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5548 -0.5251 1.1006 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2031 0.1192 0.0759 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4821 0.7640 -0.9046 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1236 0.7489 -0.8365 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1071 1.2562 0.6995 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8089 0.7315 0.2501 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8535 -1.1881 -0.9164 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6757 -1.0187 1.9307 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1334 -1.0241 1.8588 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2865 0.1606 -0.0239 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9752 1.2774 -1.7203 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5762 1.2686 -1.6280 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