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
    4.0139    0.3625    0.7932 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8557   -0.6675   -0.2839 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8224   -0.4010   -1.1808 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4873   -0.2998   -0.6587 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4783   -0.4755    0.5638 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4107   -0.0269   -1.5615 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8373    0.1167   -1.5250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8368    0.0685   -0.5103 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6645   -0.4031    0.7558 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6953   -0.3428    1.6831 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9205    0.1824    1.3830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0912    0.6528    0.1128 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1020    0.6073   -0.8126 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5613    0.0632    1.7617 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1152    0.4787    0.9920 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6438    1.3723    0.4901 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7978   -0.7481   -0.8729 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7279   -1.6570    0.2345 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8025    0.1046   -2.6716 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2946    0.3268   -2.5879 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7368   -0.8608    1.0381 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4774   -0.7366    2.6654 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7090    0.2140    2.1377 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0561    1.0751   -0.1530 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2953    0.9943   -1.7929 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