Monomers
Ethyl 3-phenylprop-2-enoate
Identifiers
IUPAC name
ethyl 3-phenylprop-2-enoate
InchI
InChI=1S/C11H12O2/c1-2-13-11(12)9-8-10-6-4-3-5-7-10/h3-9H,2H2,1H3
InchI Key
KBEBGUQPQBELIU-UHFFFAOYSA-N
SMILES
CCOC(=O)C=Cc1ccccc1
Canonical SMILES
CCOC(=O)C=CC1=CC=CC=C1
Isomeric SMILES
CCOC(=O)C=CC1=CC=CC=C1
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C11H12O2
Heavy Atom Count
13
Molecular Weight
176.215
Exact Molecular Weight
176.0837
Valence Electrons
68
Radical Electrons
0
tPSA
26.3
MolLogP
2.2629
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
25 25 0 0 0 0 0 0 0 0999 V2000
4.6928 0.2241 0.7849 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1814 -0.7355 -0.2295 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8073 -0.9791 -0.1697 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8141 -0.0433 -0.3158 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1462 1.1465 -0.5229 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3782 -0.4049 -0.2351 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5280 0.5222 -0.3809 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9537 0.2703 -0.3190 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8355 1.3380 -0.4892 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1953 1.2109 -0.4494 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6968 -0.0519 -0.2276 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8479 -1.1223 -0.0565 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4819 -0.9795 -0.0991 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6151 -0.1612 1.2744 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9753 0.4720 1.5922 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0116 1.1652 0.2516 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4387 -0.4101 -1.2586 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6932 -1.7227 -0.0660 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1109 -1.4336 -0.0564 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1935 1.5560 -0.5615 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4359 2.3234 -0.6624 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8890 2.0232 -0.5785 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7720 -0.2231 -0.1841 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2183 -2.1362 0.1212 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8173 -1.8484 0.0401 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 2 0
4 6 1 0
6 7 2 3
7 8 1 0
8 9 2 0
9 10 1 0
10 11 2 0
11 12 1 0
12 13 2 0
13 8 1 0
1 14 1 0
1 15 1 0
1 16 1 0
2 17 1 0
2 18 1 0
6 19 1 0
7 20 1 0
9 21 1 0
10 22 1 0
11 23 1 0
12 24 1 0
13 25 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers