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
    4.4845   -0.1372   -1.1655 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9413    0.4364    0.1042 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5320    0.3431    0.1129 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7331    0.7782    1.1314 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2498    1.3018    2.1451 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2583    0.6669    1.1120 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3478    0.1252    0.0736 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7816   -0.0010    0.0173 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3584   -0.5782   -1.0991 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7105   -0.7495   -1.2607 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5248   -0.3141   -0.2391 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0147    0.2696    0.9004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6260    0.4167    1.0065 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4807    0.3537   -1.3615 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7992   -0.0081   -2.0136 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6398   -1.2362   -0.9954 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3999   -0.0567    0.9898 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1979    1.5284    0.1987 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3065    1.0317    1.9511 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2748   -0.2371   -0.7685 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6995   -0.9176   -1.8988 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0871   -1.2097   -2.1629 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6032   -0.4575   -0.3821 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6665    0.6066    1.6942 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2646    0.8765    1.9099 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