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
    5.1066   -0.9493    0.3192 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1259    0.1979    0.4200 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8155   -0.3425    0.2113 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6910    0.4833    0.2459 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9126    1.7050    0.4684 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3455   -0.0346    0.0378 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6736    0.7754    0.0794 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0593    0.3958   -0.1094 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3909   -0.9096   -0.3559 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7203   -1.3052   -0.5422 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7048   -0.3645   -0.4757 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3861    0.9378   -0.2309 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0821    1.3345   -0.0467 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6180   -1.9097    0.0530 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9061   -0.6688   -0.4267 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6287   -1.0823    1.3038 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3480    1.0263   -0.2616 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1176    0.6462    1.4543 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2114   -1.0736   -0.1465 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4674    1.8415    0.2748 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6476   -1.6812   -0.4163 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9382   -2.3556   -0.7361 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7271   -0.7100   -0.6258 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2043    1.6719   -0.1835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8252    2.3713    0.1485 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