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
4.0713 0.6781 -0.4182 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1330 0.4325 0.4709 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7514 0.2778 0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4401 0.3755 -1.1783 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7169 0.0181 0.9246 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5971 -0.1289 0.5110 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4496 0.9413 0.4326 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7765 0.7762 0.0121 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2419 -0.4810 -0.3309 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3707 -1.5553 -0.2476 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0513 -1.3709 0.1738 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1096 0.7942 -0.0910 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7952 0.7597 -1.4532 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3739 0.3443 1.5177 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0676 1.9124 0.7042 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4156 1.6283 -0.0386 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2795 -0.6192 -0.6612 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7234 -2.5335 -0.5117 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4182 -2.2495 0.2183 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