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
    5.1959    0.5085    0.4581 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0561   -0.4474    0.3161 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8042    0.2128    0.2351 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6528   -0.5429    0.1008 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7591   -1.7757    0.0562 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3167    0.0530    0.0096 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7350   -0.7272   -0.1170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0817   -0.1920   -0.2118 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1351   -1.1034   -0.3442 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4284   -0.6962   -0.4400 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6995    0.6660   -0.4041 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6617    1.5596   -0.2739 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3410    1.1575   -0.1755 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1242    0.0283    0.0668 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4080    0.7899    1.5212 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0456    1.4596   -0.1049 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0781   -1.1333    1.2033 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2491   -1.0830   -0.5847 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2672    1.1126    0.0517 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5928   -1.8093   -0.1519 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9286   -2.1790   -0.3732 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2283   -1.4120   -0.5416 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7170    1.0270   -0.4777 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8669    2.6234   -0.2453 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5411    1.9032   -0.0725 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