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
    4.4485    0.4347   -0.5974 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1926   -0.4176    0.6003 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8717   -0.9444    0.5277 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8492    0.0231    0.4896 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0948    1.2369    0.5178 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4500   -0.4154    0.4142 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4812    0.4961    0.3800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8862    0.1632    0.3057 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3000   -1.1343    0.2681 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6767   -1.3856    0.1962 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5832   -0.3514    0.1647 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1576    0.9602    0.2031 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8180    1.2086    0.2731 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2467    1.5200   -0.4226 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7641    0.1581   -1.4502 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4857    0.3016   -0.9630 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8881   -1.2652    0.7072 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1897    0.2564    1.4973 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2374   -1.4618    0.3899 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1948    1.5716    0.4084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6040   -1.9574    0.2919 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9824   -2.4316    0.1673 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6558   -0.5806    0.1083 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9020    1.7801    0.1769 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4767    2.2348    0.3036 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