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
3.7989 0.3307 -0.5836 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0822 0.5976 0.4901 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6300 0.4185 0.5194 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0089 0.6910 1.5727 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9321 -0.0423 -0.5835 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4428 -0.1795 -0.4591 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2217 0.9102 -0.7888 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5982 0.7884 -0.6695 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1559 -0.4160 -0.2252 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3799 -1.5008 0.1031 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9924 -1.3661 -0.0212 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2944 -0.0277 -1.4563 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8595 0.4767 -0.5598 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5862 0.9608 1.3772 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8084 1.8486 -1.1338 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2098 1.6375 -0.9262 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2251 -0.5006 -0.1359 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7953 -2.4276 0.4442 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3627 -2.1994 0.2290 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