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
    4.3980    1.0408    0.3731 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9220   -0.3932    0.1248 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5135   -0.3491    0.0629 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7245   -1.4597   -0.1500 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2492   -2.5828   -0.3007 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2803   -1.3142   -0.1976 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2991   -0.1416   -0.0419 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7326    0.0964   -0.0745 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2502    1.3816    0.1020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6049    1.6220    0.0737 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5167    0.6097   -0.1297 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0247   -0.6631   -0.3055 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6541   -0.9044   -0.2765 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4912    1.0296    0.5108 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1307    1.6791   -0.4925 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9137    1.4062    1.3013 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2100   -1.0081    1.0013 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3925   -0.8073   -0.7796 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3214   -2.2116   -0.3679 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3493    0.7255    0.1259 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5336    2.1859    0.2633 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0019    2.6270    0.2121 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5890    0.8214   -0.1488 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7386   -1.4574   -0.4650 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3081   -1.9327   -0.4211 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