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
    5.1482   -0.1899   -0.5506 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1039   -0.5175    0.5187 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8479   -0.1845   -0.0508 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6618   -0.3491    0.6342 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7916   -0.8228    1.8145 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3597   -0.0216    0.0891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7304   -0.2091    0.8111 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0648    0.0815    0.3671 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3034    0.5878   -0.8719 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6311    0.8510   -1.2475 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6782    0.6094   -0.3973 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4420    0.0967    0.8588 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1202   -0.1530    1.2012 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9824   -0.8979   -0.4505 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4717    0.8820   -0.4544 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7360   -0.2973   -1.5685 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3509    0.1338    1.3847 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1650   -1.5530    0.8604 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2658    0.3743   -0.9008 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6180   -0.6180    1.8298 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5318    0.8097   -1.6104 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8245    1.2525   -2.2292 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7095    0.8063   -0.6698 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2453   -0.1098    1.5652 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9859   -0.5616    2.2141 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