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
3.5355 1.6685 1.4694 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5835 1.8183 0.5718 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4533 0.8816 0.5277 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3551 -0.0796 1.3305 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4297 0.9994 -0.3978 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6234 0.0960 -0.4108 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7759 0.2648 0.3046 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8004 -0.6795 0.2508 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6828 -1.8136 -0.5262 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5164 -1.9848 -1.2504 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4954 -1.0349 -1.1912 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3759 2.3371 1.5278 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4817 0.8544 2.1726 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6700 2.6413 -0.1137 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8583 1.1530 0.9079 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7009 -0.4952 0.8427 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4683 -2.5548 -0.5783 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3744 -2.8666 -1.8812 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4116 -1.2055 -1.7779 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