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
   -4.0612    1.1646    0.2737 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9481   -0.0771   -0.5359 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9278   -0.9568   -0.1141 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5528   -0.5254   -0.0996 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4624    0.6433   -0.4891 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5566   -1.4371    0.3302 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6982   -1.5006    0.4999 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8117   -0.6106    0.3263 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1019   -1.1063    0.6488 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000   -0.3070    0.5044 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1299    0.9864    0.0524 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8880    1.4748   -0.2619 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7394    0.6781   -0.1243 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3970    1.9919   -0.0948 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1044    1.5673    0.1209 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9724    1.0054    1.3630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9296   -0.5745   -0.5766 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7061    0.2143   -1.5943 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0402   -2.4733    0.6281 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0549   -2.5309    0.8948 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2344   -2.1227    1.0131 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1651   -0.7277    0.7627 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0151    1.5968   -0.0524 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8068    2.5010   -0.6235 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8136    1.1260   -0.3874 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