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
   -4.6566   -0.2881   -0.2280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8131    0.5850    0.6385 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4382    0.4822    0.4398 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7645   -0.7039    0.6181 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4361   -1.7060    0.9709 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3073   -0.8126    0.4070 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3921    0.2206    0.0421 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8339    0.1733   -0.1814 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6051   -0.9515   -0.0338 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9858   -0.9164   -0.2674 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6240    0.2282   -0.6495 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8672    1.3667   -0.8028 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5014    1.3300   -0.5713 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6891   -0.2989    0.2260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3505   -1.3297   -0.3079 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7693    0.1040   -1.2676 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1145    0.4575    1.7167 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0977    1.6507    0.4070 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1515   -1.7599    0.5623 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1415    1.1650   -0.1003 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1352   -1.8718    0.2664 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5477   -1.8328   -0.1363 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6920    0.2125   -0.8198 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3569    2.2689   -1.1019 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8854    2.2270   -0.6888 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