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
   -4.1617    0.4733    2.1627 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0008   -0.6494    1.1785 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8598   -0.4818    0.3478 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5812   -0.4000    0.8407 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3384   -0.4682    2.0585 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4511   -0.2273   -0.0724 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7691   -0.1494    0.3994 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8961    0.0208   -0.4846 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7353    0.1074   -1.8475 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8731    0.2722   -2.6458 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1329    0.3486   -2.1047 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2514    0.2572   -0.7298 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1740    0.0963    0.0910 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6056    0.3057    3.1101 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2481    0.5257    2.4676 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9287    1.4195    1.6786 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8888   -0.6211    0.4955 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0196   -1.6544    1.6529 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7069   -0.1730   -1.1211 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9280   -0.2138    1.4618 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7577    0.0531   -2.3340 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7557    0.3414   -3.7211 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0212    0.4758   -2.7071 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2453    0.3176   -0.3039 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2508    0.0237    1.1627 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