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
4.4998 0.1750 -0.8594 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1741 -0.3854 0.5026 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8640 -0.0002 0.8627 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8163 -0.3863 0.0742 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0438 -1.0725 -0.9479 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4149 -0.0076 0.4069 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5324 -0.3952 -0.3655 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9230 -0.0783 -0.1266 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2810 0.6654 0.9604 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6097 0.9675 1.1877 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5627 0.5218 0.3248 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2176 -0.2260 -0.7710 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9099 -0.5264 -0.9995 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8895 -0.5933 -1.5558 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2382 0.9918 -0.7002 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5856 0.6531 -1.2550 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9224 -0.0622 1.2677 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2116 -1.5094 0.3896 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2563 0.5742 1.2796 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3008 -0.9998 -1.2604 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5395 1.0461 1.6844 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8355 1.5615 2.0670 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6108 0.7647 0.5113 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9995 -0.5588 -1.4281 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5939 -1.1195 -1.8610 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