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
    5.2197    0.5496   -0.1914 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1318   -0.4528    0.0100 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8334    0.1542   -0.0866 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6758   -0.5671    0.0631 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7794   -1.7995    0.2920 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3406    0.0199   -0.0293 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7388   -0.7254    0.1240 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0816   -0.2184    0.0466 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1639   -1.0710    0.2199 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4596   -0.6619    0.1602 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7020    0.6774   -0.0868 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6743    1.5777   -0.2683 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3537    1.1157   -0.1991 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8103    1.5617    0.0098 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0132    0.3837    0.5647 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6557    0.4434   -1.1982 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320   -1.0306    0.9529 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1436   -1.2100   -0.8223 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2994    1.0807   -0.2269 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5913   -1.7967    0.3222 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9405   -2.1326    0.4153 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2407   -1.3912    0.3066 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7238    1.0308   -0.1396 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8929    2.6247   -0.4611 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5717    1.8378   -0.3441 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