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
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
4.1170 0.1404 0.4959 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0614 -0.6123 0.7177 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7511 -0.1411 0.3198 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6512 0.9813 -0.2310 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5849 -0.8575 0.5097 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6607 -0.4124 0.1327 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1501 -0.6960 -1.1185 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3941 -0.2714 -1.5431 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1995 0.4659 -0.7053 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7174 0.7556 0.5521 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4545 0.3229 0.9791 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1266 -0.1853 0.7847 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9998 1.1159 0.0132 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2256 -1.5671 1.1967 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5240 -1.2746 -1.7828 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7770 -0.4992 -2.5362 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1940 0.8151 -1.0213 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3171 1.3335 1.2453 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1292 0.5864 1.9913 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