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
    4.6871   -0.4549    0.6980 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1867    0.6920   -0.1159 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8090    0.9280    0.0053 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8333   -0.0001   -0.3244 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2131   -1.1154   -0.7563 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4052    0.3253   -0.1681 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5365   -0.5354   -0.4730 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9375   -0.2176   -0.3202 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8922   -1.1849   -0.6653 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2445   -0.9862   -0.5588 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6873    0.2343   -0.0854 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8045    1.2191    0.2680 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4322    0.9653    0.1401 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4743   -0.0778    1.4151 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9001   -0.9202    1.3460 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1900   -1.2152    0.0759 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7026    1.6491    0.1679 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4833    0.5190   -1.1802 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1282    1.2962    0.2067 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2300   -1.5014   -0.8466 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5704   -2.1650   -1.0446 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9728   -1.7528   -0.8329 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7494    0.3788   -0.0062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1758    2.1633    0.6348 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7798    1.7564    0.4253 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