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
    3.4510    2.2537   -2.2574 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2676    3.0460   -1.8144 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1518    2.2732   -1.4775 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1175    1.3145   -0.4838 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1908    1.1418    0.1555 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0775    0.5314   -0.1699 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0218   -0.3609    0.7923 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1022   -1.2069    1.2213 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3346   -1.1264    0.6112 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3655   -1.9498    1.0376 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2149   -2.8581    2.0570 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9783   -2.9427    2.6732 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9615   -2.1217    2.2434 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2849    1.1936   -1.9566 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4092    2.5747   -1.8160 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5262    2.2856   -3.3686 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9419    3.7238   -2.6564 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5899    3.7290   -0.9997 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9794    0.6718   -0.7021 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9323   -0.4864    1.3311 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5710   -0.4496   -0.2012 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3435   -1.8835    0.5509 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0631   -3.4667    2.3354 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8404   -3.6524    3.4783 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0094   -2.2339    2.7672 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