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
   -4.4738   -0.5562   -0.0245 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8067    0.7335   -0.3835 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3915    0.5918   -0.2011 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7680   -0.3767   -0.9437 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4124   -1.1183   -1.7590 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3114   -0.5458   -0.7770 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3217    0.2310    0.0677 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7557    0.1061    0.2696 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5063   -0.8228   -0.4091 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8584   -0.9377   -0.2162 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4741   -0.0966    0.6831 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7580    0.8468    1.3826 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4142    0.9471    1.1782 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2382   -0.3417    0.7600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7402   -1.2456    0.4763 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9074   -1.0112   -0.9326 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1153    1.5538    0.2758 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0262    1.0211   -1.4413 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1376   -1.3101   -1.3725 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2012    0.9869    0.6393 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0703   -1.5225   -1.1405 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4612   -1.6815   -0.7591 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5435   -0.2009    0.8236 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2874    1.4987    2.0910 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8040    1.6836    1.7129 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