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
    4.4998    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