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
    4.6711    0.5723   -0.1823 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0185   -0.1531   -1.3142 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6311    0.1048   -1.4089 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7536   -0.1947   -0.3766 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2391   -0.7119    0.6646 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2992    0.0826   -0.4923 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4618   -0.2233    0.5119 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8896    0.0020    0.5093 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6509   -0.3548    1.6337 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9881   -0.1422    1.6275 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6313    0.4134    0.5540 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9377    0.7806   -0.5699 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5528    0.5577   -0.5568 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1007    1.5028    0.0730 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6796    0.9139   -0.4945 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8271   -0.0616    0.7152 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4623    0.2486   -2.2718 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2642   -1.2235   -1.3047 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0424    0.5192   -1.3965 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0162   -0.6757    1.4150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1352   -0.7909    2.4724 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5900   -0.4124    2.4886 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7035    0.5679    0.5867 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3812    1.2228   -1.4494 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9658    0.8372   -1.4342 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