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
Resources
cid=

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
   -4.4645   -0.6875    0.1310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7728   -0.0763   -1.0609 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3793   -0.0566   -0.8223 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9021    0.6435    0.2609 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7110    1.2422    1.0034 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4683    0.6781    0.5273 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3682    0.0418   -0.2655 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7956    0.0193   -0.0826 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3737    0.6844    0.9652 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7646    0.6498    1.1252 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5532   -0.0443    0.2418 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9873   -0.7197   -0.8189 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6147   -0.6674   -0.9505 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3419   -0.0770    0.4442 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7428   -0.8522    0.9282 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8921   -1.6730   -0.1990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9842   -0.6600   -2.0021 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1337    0.9533   -1.2600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1257    1.2473    1.4010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0494   -0.5041   -1.1169 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8315    1.2585    1.7124 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2142    1.1717    1.9467 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6463   -0.0884    0.3432 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6214   -1.2654   -1.5112 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1973   -1.2181   -1.8087 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