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
    4.5565    0.0707    0.3797 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8651   -0.6497   -0.7376 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4510   -0.4921   -0.5794 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8472    0.7524   -0.5784 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5775    1.7604   -0.7216 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3815    0.8941   -0.4131 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3582   -0.1800   -0.2650 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8122   -0.1080   -0.0972 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5355   -1.2991    0.0556 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9018   -1.3203    0.2183 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6175   -0.1417    0.2363 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9301    1.0417    0.0881 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5384    1.0551   -0.0771 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8899    0.7673    0.9383 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9142   -0.7015    1.1058 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4527    0.5902    0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0544   -1.7446   -0.6991 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1913   -0.2997   -1.7387 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0577    1.8758   -0.4167 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1428   -1.1461   -0.2696 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9514   -2.2284    0.0392 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4336   -2.2740    0.3351 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6937   -0.1938    0.3664 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4691    1.9776    0.0989 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0248    1.9939   -0.1909 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