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
    4.7009    0.0658   -0.3827 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0523    1.2660    0.2517 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6774    1.3616   -0.0300 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7771    0.3849    0.3237 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2211   -0.6275    0.9230 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3415    0.5084    0.0172 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4804   -0.4542    0.3768 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9133   -0.4480    0.1315 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5414    0.5807   -0.5073 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9238    0.5675   -0.7340 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6829   -0.5018   -0.3085 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0502   -1.5580    0.3453 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6875   -1.5091    0.5503 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4275   -0.8899    0.0806 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8090    0.1894   -0.2270 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5678    0.0546   -1.4847 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5401    2.1683   -0.1565 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2811    1.2464    1.3358 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0460    1.3594   -0.4889 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0338   -1.3150    0.8980 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0133    1.4458   -0.8660 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4009    1.3846   -1.2377 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7407   -0.5223   -0.4766 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6397   -2.3965    0.6799 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420   -2.3613    1.0668 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