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
4.1676 -0.0754 0.2623 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1563 -0.1148 -0.5602 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7778 -0.0609 -0.0804 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5814 0.0255 1.1577 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6843 -0.0992 -0.9072 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6338 -0.0479 -0.4523 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3385 -1.1927 -0.1367 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6436 -1.0995 0.3112 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2713 0.1342 0.4532 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5778 1.2753 0.1417 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2754 1.1674 -0.3043 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1901 -0.1130 -0.0572 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9629 -0.0006 1.3273 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3881 -0.1907 -1.6331 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8434 -2.1546 -0.2493 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2113 -1.9848 0.5632 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2843 0.2061 0.8008 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0747 2.2406 0.2548 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7545 2.0851 -0.5421 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