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
4.1920 -0.2168 0.0653 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1353 -0.0832 0.8261 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7684 -0.0909 0.2970 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5908 -0.2312 -0.9393 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6571 0.0514 1.1125 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6485 0.0472 0.6333 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2048 1.2544 0.2670 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4980 1.2748 -0.2110 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2691 0.1282 -0.3405 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6784 -1.0633 0.0364 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3879 -1.1027 0.5158 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1609 -0.2026 0.5139 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0809 -0.3382 -0.9900 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2370 0.0409 1.9012 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6662 2.1899 0.3394 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9567 2.2270 -0.5072 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2849 0.1394 -0.7153 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2821 -1.9581 -0.0655 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9457 -2.0662 0.8075 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