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
    5.0939    0.3856    0.0126 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6757    0.9131    0.0629 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8206   -0.2128    0.0628 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3878   -0.0197    0.1064 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1199    1.1985    0.1396 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5236   -1.1386    0.1067 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7232   -1.4051    0.1308 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9563   -0.6716    0.1705 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0324    0.6915    0.1176 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2523    1.3547    0.1797 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4242    0.6604    0.2960 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3890   -0.7052    0.3515 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1897   -1.3622    0.2910 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4394    0.0740    1.0360 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7802    1.1476   -0.4100 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1698   -0.5290   -0.6114 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5281    1.5567    0.9418 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5009    1.4707   -0.8762 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1472   -2.1358    0.0751 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9574   -2.5566    0.1094 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1964    1.3080    0.0185 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2505    2.4633    0.1324 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3638    1.1722    0.3438 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3071   -1.2345    0.4419 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1447   -2.4253    0.3340 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